USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 HIS : no HE2:sc= 0.875 K(o=0.84,f=-2.8!) USER MOD Set 1.2: A 129 TYR OH : rot 180:sc= -0.0373 USER MOD Set 2.1: A 29 GLN : amide:sc= 0.67 K(o=2.8,f=-8.2!) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -178:sc= 2.09 (180deg=0.856) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -127:sc= -0.0816 (180deg=-1.24) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.274 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.133 F(o=-1.1,f=-0.13) USER MOD Single : A 52 TYR OH : rot 105:sc= -0.618 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 62 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0619) USER MOD Single : A 67 THR OG1 : rot -30:sc= 0.131 USER MOD Single : A 75 ASN : amide:sc= -1 K(o=-1,f=-5.6!) USER MOD Single : A 80 SER OG : rot 45:sc= 0.123 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0.332 USER MOD Single : A 88 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.901) USER MOD Single : A 95 ASN : amide:sc= 0.263 X(o=0.26,f=-0.15) USER MOD Single : A 96 THR OG1 : rot 175:sc= 1.2 USER MOD Single : A 101 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 103 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.11) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 114 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 116 MET CE :methyl -163:sc= -0.594 (180deg=-0.959) USER MOD Single : A 120 ASN : amide:sc= -0.923! C(o=-0.92!,f=-12!) USER MOD Single : A 124 LYS NZ :NH3+ -170:sc= -0.0102 (180deg=-0.118) USER MOD Single : A 130 LYS NZ :NH3+ 171:sc= -0.0154 (180deg=-0.112) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 137 SER OG : rot -115:sc= 1.16 USER MOD Single : A 139 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.12) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -11.868 -4.768 25.881 1.00 0.00 N ATOM 2 CA GLY A 25 -11.190 -3.869 24.959 1.00 0.00 C ATOM 3 C GLY A 25 -11.844 -3.902 23.615 1.00 0.00 C ATOM 4 O GLY A 25 -13.065 -3.763 23.514 1.00 0.00 O ATOM 0 HA2 GLY A 25 -11.209 -2.853 25.354 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.143 -4.156 24.867 1.00 0.00 H new ATOM 10 N ALA A 26 -11.058 -4.090 22.589 1.00 0.00 N ATOM 11 CA ALA A 26 -11.564 -4.189 21.241 1.00 0.00 C ATOM 12 C ALA A 26 -11.502 -5.647 20.785 1.00 0.00 C ATOM 13 O ALA A 26 -11.438 -6.566 21.622 1.00 0.00 O ATOM 14 CB ALA A 26 -10.758 -3.285 20.312 1.00 0.00 C ATOM 0 H ALA A 26 -10.045 -4.179 22.662 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.602 -3.858 21.210 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.147 -3.367 19.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.839 -2.252 20.650 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.712 -3.590 20.325 1.00 0.00 H new ATOM 20 N MET A 27 -11.541 -5.863 19.492 1.00 0.00 N ATOM 21 CA MET A 27 -11.465 -7.194 18.917 1.00 0.00 C ATOM 22 C MET A 27 -10.590 -7.142 17.679 1.00 0.00 C ATOM 23 O MET A 27 -10.228 -6.042 17.220 1.00 0.00 O ATOM 24 CB MET A 27 -12.870 -7.716 18.562 1.00 0.00 C ATOM 25 CG MET A 27 -13.624 -6.850 17.566 1.00 0.00 C ATOM 26 SD MET A 27 -15.301 -7.426 17.256 1.00 0.00 S ATOM 27 CE MET A 27 -15.890 -6.118 16.179 1.00 0.00 C ATOM 0 H MET A 27 -11.627 -5.118 18.800 1.00 0.00 H new ATOM 0 HA MET A 27 -11.031 -7.879 19.645 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.779 -8.723 18.155 1.00 0.00 H new ATOM 0 HB3 MET A 27 -13.458 -7.794 19.476 1.00 0.00 H new ATOM 0 HG2 MET A 27 -13.661 -5.826 17.939 1.00 0.00 H new ATOM 0 HG3 MET A 27 -13.075 -6.827 16.625 1.00 0.00 H new ATOM 0 HE1 MET A 27 -16.922 -6.321 15.891 1.00 0.00 H new ATOM 0 HE2 MET A 27 -15.841 -5.164 16.704 1.00 0.00 H new ATOM 0 HE3 MET A 27 -15.266 -6.073 15.286 1.00 0.00 H new ATOM 37 N GLU A 28 -10.243 -8.292 17.148 1.00 0.00 N ATOM 38 CA GLU A 28 -9.427 -8.375 15.949 1.00 0.00 C ATOM 39 C GLU A 28 -10.250 -8.092 14.695 1.00 0.00 C ATOM 40 O GLU A 28 -11.425 -7.712 14.777 1.00 0.00 O ATOM 41 CB GLU A 28 -8.760 -9.736 15.850 1.00 0.00 C ATOM 42 CG GLU A 28 -7.687 -9.976 16.889 1.00 0.00 C ATOM 43 CD GLU A 28 -6.559 -8.997 16.761 1.00 0.00 C ATOM 44 OE1 GLU A 28 -5.816 -9.049 15.754 1.00 0.00 O ATOM 45 OE2 GLU A 28 -6.402 -8.137 17.636 1.00 0.00 O ATOM 0 H GLU A 28 -10.516 -9.197 17.531 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.653 -7.611 16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.522 -10.510 15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.320 -9.842 14.858 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.123 -9.900 17.885 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.301 -10.990 16.786 1.00 0.00 H new ATOM 52 N GLN A 29 -9.645 -8.273 13.547 1.00 0.00 N ATOM 53 CA GLN A 29 -10.306 -7.991 12.303 1.00 0.00 C ATOM 54 C GLN A 29 -11.098 -9.183 11.804 1.00 0.00 C ATOM 55 O GLN A 29 -10.700 -10.346 12.007 1.00 0.00 O ATOM 56 CB GLN A 29 -9.324 -7.490 11.245 1.00 0.00 C ATOM 57 CG GLN A 29 -8.731 -6.122 11.572 1.00 0.00 C ATOM 58 CD GLN A 29 -9.806 -5.056 11.759 1.00 0.00 C ATOM 59 OE1 GLN A 29 -10.876 -5.123 11.170 1.00 0.00 O ATOM 60 NE2 GLN A 29 -9.543 -4.085 12.586 1.00 0.00 N ATOM 0 H GLN A 29 -8.689 -8.617 13.451 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.018 -7.188 12.494 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.515 -8.213 11.138 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.833 -7.437 10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.133 -6.195 12.480 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.057 -5.819 10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.643 -4.052 13.065 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.237 -3.357 12.755 1.00 0.00 H new ATOM 69 N LYS A 30 -12.219 -8.883 11.176 1.00 0.00 N ATOM 70 CA LYS A 30 -13.131 -9.882 10.634 1.00 0.00 C ATOM 71 C LYS A 30 -12.437 -10.698 9.553 1.00 0.00 C ATOM 72 O LYS A 30 -11.574 -10.187 8.828 1.00 0.00 O ATOM 73 CB LYS A 30 -14.450 -9.244 10.084 1.00 0.00 C ATOM 74 CG LYS A 30 -14.354 -8.502 8.726 1.00 0.00 C ATOM 75 CD LYS A 30 -13.443 -7.280 8.748 1.00 0.00 C ATOM 76 CE LYS A 30 -13.988 -6.148 9.605 1.00 0.00 C ATOM 77 NZ LYS A 30 -13.061 -5.003 9.628 1.00 0.00 N ATOM 0 H LYS A 30 -12.530 -7.924 11.024 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.415 -10.543 11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.195 -10.034 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.824 -8.542 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.993 -9.198 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.354 -8.191 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.462 -7.572 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.301 -6.921 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.955 -5.828 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.154 -6.505 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.443 -4.260 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.136 -5.313 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.949 -4.627 8.665 1.00 0.00 H new ATOM 91 N THR A 31 -12.760 -11.952 9.484 1.00 0.00 N ATOM 92 CA THR A 31 -12.165 -12.833 8.531 1.00 0.00 C ATOM 93 C THR A 31 -12.625 -12.497 7.101 1.00 0.00 C ATOM 94 O THR A 31 -13.829 -12.493 6.793 1.00 0.00 O ATOM 95 CB THR A 31 -12.500 -14.292 8.883 1.00 0.00 C ATOM 96 OG1 THR A 31 -12.054 -14.558 10.234 1.00 0.00 O ATOM 97 CG2 THR A 31 -11.815 -15.259 7.930 1.00 0.00 C ATOM 0 H THR A 31 -13.449 -12.395 10.092 1.00 0.00 H new ATOM 0 HA THR A 31 -11.084 -12.702 8.569 1.00 0.00 H new ATOM 0 HB THR A 31 -13.577 -14.434 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.264 -15.485 10.471 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.071 -16.282 8.204 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.148 -15.062 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.735 -15.126 7.991 1.00 0.00 H new ATOM 105 N VAL A 32 -11.672 -12.168 6.264 1.00 0.00 N ATOM 106 CA VAL A 32 -11.925 -11.908 4.875 1.00 0.00 C ATOM 107 C VAL A 32 -11.419 -13.105 4.084 1.00 0.00 C ATOM 108 O VAL A 32 -10.389 -13.692 4.434 1.00 0.00 O ATOM 109 CB VAL A 32 -11.273 -10.562 4.394 1.00 0.00 C ATOM 110 CG1 VAL A 32 -9.758 -10.555 4.575 1.00 0.00 C ATOM 111 CG2 VAL A 32 -11.653 -10.239 2.950 1.00 0.00 C ATOM 0 H VAL A 32 -10.693 -12.073 6.533 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.995 -11.779 4.711 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.677 -9.776 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.355 -9.604 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.517 -10.688 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.319 -11.368 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.184 -9.301 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.310 -11.041 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.736 -10.144 2.871 1.00 0.00 H new ATOM 121 N ILE A 33 -12.147 -13.498 3.076 1.00 0.00 N ATOM 122 CA ILE A 33 -11.802 -14.686 2.335 1.00 0.00 C ATOM 123 C ILE A 33 -11.278 -14.311 0.949 1.00 0.00 C ATOM 124 O ILE A 33 -12.047 -13.869 0.093 1.00 0.00 O ATOM 125 CB ILE A 33 -13.028 -15.644 2.204 1.00 0.00 C ATOM 126 CG1 ILE A 33 -13.650 -15.932 3.587 1.00 0.00 C ATOM 127 CG2 ILE A 33 -12.626 -16.951 1.532 1.00 0.00 C ATOM 128 CD1 ILE A 33 -12.695 -16.563 4.588 1.00 0.00 C ATOM 0 H ILE A 33 -12.983 -13.016 2.746 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.019 -15.210 2.883 1.00 0.00 H new ATOM 0 HB ILE A 33 -13.773 -15.147 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.028 -14.998 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.507 -16.592 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.497 -17.602 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.236 -16.743 0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -11.858 -17.445 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.215 -16.731 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -12.336 -17.515 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -11.849 -15.896 4.754 1.00 0.00 H new ATOM 140 N PRO A 34 -9.963 -14.420 0.723 1.00 0.00 N ATOM 141 CA PRO A 34 -9.369 -14.122 -0.574 1.00 0.00 C ATOM 142 C PRO A 34 -9.700 -15.208 -1.606 1.00 0.00 C ATOM 143 O PRO A 34 -9.590 -16.417 -1.323 1.00 0.00 O ATOM 144 CB PRO A 34 -7.862 -14.090 -0.289 1.00 0.00 C ATOM 145 CG PRO A 34 -7.677 -14.945 0.918 1.00 0.00 C ATOM 146 CD PRO A 34 -8.941 -14.823 1.723 1.00 0.00 C ATOM 0 HA PRO A 34 -9.745 -13.190 -0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.292 -14.474 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.517 -13.072 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.495 -15.982 0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.814 -14.617 1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -9.202 -15.766 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.841 -14.080 2.514 1.00 0.00 H new ATOM 154 N GLY A 35 -10.147 -14.789 -2.769 1.00 0.00 N ATOM 155 CA GLY A 35 -10.461 -15.723 -3.834 1.00 0.00 C ATOM 156 C GLY A 35 -11.937 -16.071 -3.896 1.00 0.00 C ATOM 157 O GLY A 35 -12.391 -16.740 -4.831 1.00 0.00 O ATOM 0 H GLY A 35 -10.302 -13.809 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.153 -15.296 -4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.883 -16.636 -3.692 1.00 0.00 H new ATOM 161 N MET A 36 -12.671 -15.639 -2.905 1.00 0.00 N ATOM 162 CA MET A 36 -14.092 -15.859 -2.826 1.00 0.00 C ATOM 163 C MET A 36 -14.773 -14.514 -2.702 1.00 0.00 C ATOM 164 O MET A 36 -14.145 -13.555 -2.238 1.00 0.00 O ATOM 165 CB MET A 36 -14.431 -16.750 -1.622 1.00 0.00 C ATOM 166 CG MET A 36 -13.954 -18.193 -1.754 1.00 0.00 C ATOM 167 SD MET A 36 -14.757 -19.079 -3.115 1.00 0.00 S ATOM 168 CE MET A 36 -16.453 -19.175 -2.520 1.00 0.00 C ATOM 0 H MET A 36 -12.292 -15.115 -2.116 1.00 0.00 H new ATOM 0 HA MET A 36 -14.441 -16.370 -3.723 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.988 -16.314 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.511 -16.749 -1.477 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.875 -18.201 -1.908 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.146 -18.721 -0.820 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.790 -20.211 -2.548 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.501 -18.806 -1.496 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.096 -18.566 -3.155 1.00 0.00 H new ATOM 178 N PRO A 37 -16.027 -14.385 -3.128 1.00 0.00 N ATOM 179 CA PRO A 37 -16.727 -13.126 -3.040 1.00 0.00 C ATOM 180 C PRO A 37 -17.209 -12.841 -1.617 1.00 0.00 C ATOM 181 O PRO A 37 -17.654 -13.744 -0.891 1.00 0.00 O ATOM 182 CB PRO A 37 -17.910 -13.295 -3.997 1.00 0.00 C ATOM 183 CG PRO A 37 -18.178 -14.761 -4.021 1.00 0.00 C ATOM 184 CD PRO A 37 -16.868 -15.448 -3.724 1.00 0.00 C ATOM 0 HA PRO A 37 -16.088 -12.282 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -18.781 -12.740 -3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -17.670 -12.921 -4.992 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.932 -15.028 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.564 -15.068 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.003 -16.282 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.416 -15.852 -4.630 1.00 0.00 H new ATOM 192 N THR A 38 -17.096 -11.611 -1.223 1.00 0.00 N ATOM 193 CA THR A 38 -17.564 -11.174 0.054 1.00 0.00 C ATOM 194 C THR A 38 -19.076 -11.044 -0.010 1.00 0.00 C ATOM 195 O THR A 38 -19.606 -10.665 -1.057 1.00 0.00 O ATOM 196 CB THR A 38 -16.927 -9.815 0.388 1.00 0.00 C ATOM 197 OG1 THR A 38 -17.075 -8.933 -0.751 1.00 0.00 O ATOM 198 CG2 THR A 38 -15.449 -9.975 0.724 1.00 0.00 C ATOM 0 H THR A 38 -16.671 -10.874 -1.786 1.00 0.00 H new ATOM 0 HA THR A 38 -17.291 -11.890 0.829 1.00 0.00 H new ATOM 0 HB THR A 38 -17.430 -9.393 1.258 1.00 0.00 H new ATOM 0 HG1 THR A 38 -16.673 -8.063 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.021 -9.000 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.341 -10.634 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.926 -10.406 -0.130 1.00 0.00 H new ATOM 206 N VAL A 39 -19.773 -11.374 1.060 1.00 0.00 N ATOM 207 CA VAL A 39 -21.222 -11.279 1.045 1.00 0.00 C ATOM 208 C VAL A 39 -21.633 -9.810 1.076 1.00 0.00 C ATOM 209 O VAL A 39 -21.454 -9.109 2.085 1.00 0.00 O ATOM 210 CB VAL A 39 -21.881 -12.065 2.211 1.00 0.00 C ATOM 211 CG1 VAL A 39 -23.405 -11.980 2.136 1.00 0.00 C ATOM 212 CG2 VAL A 39 -21.431 -13.522 2.197 1.00 0.00 C ATOM 0 H VAL A 39 -19.370 -11.705 1.937 1.00 0.00 H new ATOM 0 HA VAL A 39 -21.580 -11.740 0.124 1.00 0.00 H new ATOM 0 HB VAL A 39 -21.559 -11.609 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -23.842 -12.539 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -23.715 -10.937 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -23.747 -12.404 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -21.903 -14.057 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -21.720 -13.983 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -20.348 -13.569 2.307 1.00 0.00 H new ATOM 222 N ILE A 40 -22.161 -9.368 -0.026 1.00 0.00 N ATOM 223 CA ILE A 40 -22.527 -7.995 -0.234 1.00 0.00 C ATOM 224 C ILE A 40 -24.020 -7.823 0.003 1.00 0.00 C ATOM 225 O ILE A 40 -24.824 -8.545 -0.583 1.00 0.00 O ATOM 226 CB ILE A 40 -22.197 -7.578 -1.695 1.00 0.00 C ATOM 227 CG1 ILE A 40 -20.714 -7.824 -1.988 1.00 0.00 C ATOM 228 CG2 ILE A 40 -22.548 -6.108 -1.935 1.00 0.00 C ATOM 229 CD1 ILE A 40 -20.344 -7.708 -3.444 1.00 0.00 C ATOM 0 H ILE A 40 -22.355 -9.967 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 40 -21.967 -7.369 0.461 1.00 0.00 H new ATOM 0 HB ILE A 40 -22.799 -8.186 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -20.119 -7.112 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -20.446 -8.820 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -22.308 -5.840 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -23.613 -5.955 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -21.973 -5.481 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -19.277 -7.897 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -20.909 -8.439 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -20.578 -6.705 -3.800 1.00 0.00 H new ATOM 241 N PRO A 41 -24.410 -6.908 0.881 1.00 0.00 N ATOM 242 CA PRO A 41 -25.812 -6.632 1.111 1.00 0.00 C ATOM 243 C PRO A 41 -26.442 -5.899 -0.086 1.00 0.00 C ATOM 244 O PRO A 41 -25.794 -5.056 -0.729 1.00 0.00 O ATOM 245 CB PRO A 41 -25.813 -5.744 2.359 1.00 0.00 C ATOM 246 CG PRO A 41 -24.467 -5.118 2.391 1.00 0.00 C ATOM 247 CD PRO A 41 -23.527 -6.086 1.728 1.00 0.00 C ATOM 0 HA PRO A 41 -26.399 -7.541 1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.597 -4.989 2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -25.996 -6.330 3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -24.472 -4.162 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -24.157 -4.918 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -22.772 -5.569 1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -22.996 -6.694 2.461 1.00 0.00 H new ATOM 255 N PRO A 42 -27.674 -6.243 -0.441 1.00 0.00 N ATOM 256 CA PRO A 42 -28.379 -5.578 -1.521 1.00 0.00 C ATOM 257 C PRO A 42 -28.850 -4.193 -1.079 1.00 0.00 C ATOM 258 O PRO A 42 -28.954 -3.914 0.123 1.00 0.00 O ATOM 259 CB PRO A 42 -29.568 -6.496 -1.789 1.00 0.00 C ATOM 260 CG PRO A 42 -29.819 -7.169 -0.488 1.00 0.00 C ATOM 261 CD PRO A 42 -28.482 -7.314 0.174 1.00 0.00 C ATOM 0 HA PRO A 42 -27.760 -5.420 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -30.440 -5.931 -2.118 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -29.343 -7.219 -2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -30.497 -6.581 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -30.287 -8.142 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -28.554 -7.192 1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -28.049 -8.298 -0.007 1.00 0.00 H new ATOM 269 N GLY A 43 -29.111 -3.331 -2.023 1.00 0.00 N ATOM 270 CA GLY A 43 -29.534 -1.993 -1.688 1.00 0.00 C ATOM 271 C GLY A 43 -28.376 -1.028 -1.698 1.00 0.00 C ATOM 272 O GLY A 43 -28.543 0.158 -1.449 1.00 0.00 O ATOM 0 H GLY A 43 -29.040 -3.525 -3.022 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -30.291 -1.661 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -30.000 -1.994 -0.703 1.00 0.00 H new ATOM 276 N LEU A 44 -27.199 -1.545 -1.970 1.00 0.00 N ATOM 277 CA LEU A 44 -26.012 -0.752 -2.066 1.00 0.00 C ATOM 278 C LEU A 44 -25.859 -0.284 -3.473 1.00 0.00 C ATOM 279 O LEU A 44 -26.381 -0.914 -4.410 1.00 0.00 O ATOM 280 CB LEU A 44 -24.765 -1.556 -1.690 1.00 0.00 C ATOM 281 CG LEU A 44 -24.610 -1.992 -0.241 1.00 0.00 C ATOM 282 CD1 LEU A 44 -23.292 -2.729 -0.071 1.00 0.00 C ATOM 283 CD2 LEU A 44 -24.651 -0.793 0.676 1.00 0.00 C ATOM 0 H LEU A 44 -27.046 -2.540 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 44 -26.108 0.086 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -24.743 -2.450 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.891 -0.961 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 44 -25.434 -2.657 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.181 -3.041 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -23.280 -3.607 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -22.468 -2.068 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -24.539 -1.121 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -23.839 -0.112 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.605 -0.279 0.560 1.00 0.00 H new ATOM 295 N THR A 45 -25.185 0.788 -3.635 1.00 0.00 N ATOM 296 CA THR A 45 -24.880 1.288 -4.926 1.00 0.00 C ATOM 297 C THR A 45 -23.544 0.703 -5.324 1.00 0.00 C ATOM 298 O THR A 45 -22.826 0.208 -4.458 1.00 0.00 O ATOM 299 CB THR A 45 -24.793 2.812 -4.862 1.00 0.00 C ATOM 300 OG1 THR A 45 -23.733 3.191 -3.959 1.00 0.00 O ATOM 301 CG2 THR A 45 -26.106 3.351 -4.339 1.00 0.00 C ATOM 0 H THR A 45 -24.823 1.354 -2.868 1.00 0.00 H new ATOM 0 HA THR A 45 -25.645 1.016 -5.653 1.00 0.00 H new ATOM 0 HB THR A 45 -24.590 3.216 -5.854 1.00 0.00 H new ATOM 0 HG1 THR A 45 -23.673 4.168 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 45 -26.058 4.439 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 45 -26.914 3.054 -5.008 1.00 0.00 H new ATOM 0 HG23 THR A 45 -26.294 2.949 -3.343 1.00 0.00 H new ATOM 309 N ARG A 46 -23.194 0.758 -6.599 1.00 0.00 N ATOM 310 CA ARG A 46 -21.907 0.212 -7.050 1.00 0.00 C ATOM 311 C ARG A 46 -20.735 0.878 -6.309 1.00 0.00 C ATOM 312 O ARG A 46 -19.737 0.236 -5.980 1.00 0.00 O ATOM 313 CB ARG A 46 -21.718 0.335 -8.584 1.00 0.00 C ATOM 314 CG ARG A 46 -21.504 1.748 -9.145 1.00 0.00 C ATOM 315 CD ARG A 46 -22.760 2.597 -9.106 1.00 0.00 C ATOM 316 NE ARG A 46 -22.541 3.957 -9.605 1.00 0.00 N ATOM 317 CZ ARG A 46 -23.516 4.841 -9.864 1.00 0.00 C ATOM 318 NH1 ARG A 46 -24.789 4.464 -9.802 1.00 0.00 N ATOM 319 NH2 ARG A 46 -23.215 6.082 -10.227 1.00 0.00 N ATOM 0 H ARG A 46 -23.768 1.167 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 46 -21.916 -0.851 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -20.863 -0.277 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -22.595 -0.094 -9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -20.719 2.244 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -21.153 1.675 -10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -23.536 2.117 -9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -23.129 2.646 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 46 -21.578 4.253 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -25.025 3.502 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -25.530 5.136 -9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -22.239 6.367 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -23.960 6.751 -10.423 1.00 0.00 H new ATOM 333 N GLU A 47 -20.917 2.146 -5.992 1.00 0.00 N ATOM 334 CA GLU A 47 -19.911 2.932 -5.325 1.00 0.00 C ATOM 335 C GLU A 47 -19.790 2.512 -3.871 1.00 0.00 C ATOM 336 O GLU A 47 -18.693 2.402 -3.336 1.00 0.00 O ATOM 337 CB GLU A 47 -20.265 4.399 -5.448 1.00 0.00 C ATOM 338 CG GLU A 47 -20.444 4.815 -6.890 1.00 0.00 C ATOM 339 CD GLU A 47 -20.844 6.239 -7.051 1.00 0.00 C ATOM 340 OE1 GLU A 47 -22.032 6.556 -6.868 1.00 0.00 O ATOM 341 OE2 GLU A 47 -19.986 7.066 -7.403 1.00 0.00 O ATOM 0 H GLU A 47 -21.776 2.658 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 47 -18.942 2.765 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -21.183 4.599 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -19.480 5.002 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -19.511 4.645 -7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -21.199 4.179 -7.352 1.00 0.00 H new ATOM 348 N GLN A 48 -20.923 2.236 -3.246 1.00 0.00 N ATOM 349 CA GLN A 48 -20.933 1.814 -1.865 1.00 0.00 C ATOM 350 C GLN A 48 -20.437 0.378 -1.757 1.00 0.00 C ATOM 351 O GLN A 48 -19.797 0.007 -0.770 1.00 0.00 O ATOM 352 CB GLN A 48 -22.316 1.931 -1.265 1.00 0.00 C ATOM 353 CG GLN A 48 -22.332 1.779 0.245 1.00 0.00 C ATOM 354 CD GLN A 48 -21.599 2.897 0.975 1.00 0.00 C ATOM 355 OE1 GLN A 48 -21.615 4.084 0.419 1.00 0.00 O flip ATOM 356 NE2 GLN A 48 -21.045 2.690 2.055 1.00 0.00 N flip ATOM 0 H GLN A 48 -21.845 2.298 -3.678 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.266 2.470 -1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -22.738 2.900 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -22.961 1.171 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.366 1.748 0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.879 0.824 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -21.051 1.754 2.460 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -20.580 3.455 2.544 1.00 0.00 H new ATOM 365 N GLU A 49 -20.740 -0.428 -2.774 1.00 0.00 N ATOM 366 CA GLU A 49 -20.228 -1.782 -2.842 1.00 0.00 C ATOM 367 C GLU A 49 -18.731 -1.729 -2.843 1.00 0.00 C ATOM 368 O GLU A 49 -18.082 -2.398 -2.048 1.00 0.00 O ATOM 369 CB GLU A 49 -20.705 -2.512 -4.092 1.00 0.00 C ATOM 370 CG GLU A 49 -22.161 -2.896 -4.078 1.00 0.00 C ATOM 371 CD GLU A 49 -22.623 -3.449 -5.398 1.00 0.00 C ATOM 372 OE1 GLU A 49 -22.149 -4.524 -5.803 1.00 0.00 O ATOM 373 OE2 GLU A 49 -23.507 -2.834 -6.049 1.00 0.00 O ATOM 0 H GLU A 49 -21.337 -0.161 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.600 -2.331 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -20.518 -1.879 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -20.106 -3.414 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.330 -3.638 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -22.761 -2.023 -3.823 1.00 0.00 H new ATOM 380 N ARG A 50 -18.191 -0.888 -3.710 1.00 0.00 N ATOM 381 CA ARG A 50 -16.784 -0.678 -3.786 1.00 0.00 C ATOM 382 C ARG A 50 -16.232 -0.179 -2.480 1.00 0.00 C ATOM 383 O ARG A 50 -15.231 -0.658 -2.039 1.00 0.00 O ATOM 384 CB ARG A 50 -16.404 0.252 -4.935 1.00 0.00 C ATOM 385 CG ARG A 50 -16.363 -0.413 -6.294 1.00 0.00 C ATOM 386 CD ARG A 50 -15.411 -1.583 -6.236 1.00 0.00 C ATOM 387 NE ARG A 50 -14.985 -2.066 -7.555 1.00 0.00 N ATOM 388 CZ ARG A 50 -13.709 -2.066 -7.992 1.00 0.00 C ATOM 389 NH1 ARG A 50 -12.792 -1.282 -7.419 1.00 0.00 N ATOM 390 NH2 ARG A 50 -13.376 -2.772 -9.066 1.00 0.00 N ATOM 0 H ARG A 50 -18.732 -0.337 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.330 -1.647 -3.993 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.116 1.076 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.426 0.685 -4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.359 -0.751 -6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.039 0.299 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.530 -1.294 -5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.888 -2.401 -5.696 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.703 -2.426 -8.184 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.054 -0.675 -6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.830 -1.291 -7.758 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.085 -3.314 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.411 -2.772 -9.397 1.00 0.00 H new ATOM 404 N ALA A 51 -16.932 0.724 -1.843 1.00 0.00 N ATOM 405 CA ALA A 51 -16.510 1.264 -0.558 1.00 0.00 C ATOM 406 C ALA A 51 -16.360 0.144 0.491 1.00 0.00 C ATOM 407 O ALA A 51 -15.402 0.132 1.259 1.00 0.00 O ATOM 408 CB ALA A 51 -17.507 2.308 -0.088 1.00 0.00 C ATOM 0 H ALA A 51 -17.809 1.111 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.535 1.734 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.187 2.709 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.560 3.115 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.490 1.850 0.019 1.00 0.00 H new ATOM 414 N TYR A 52 -17.302 -0.783 0.505 1.00 0.00 N ATOM 415 CA TYR A 52 -17.262 -1.928 1.389 1.00 0.00 C ATOM 416 C TYR A 52 -16.117 -2.892 1.011 1.00 0.00 C ATOM 417 O TYR A 52 -15.303 -3.262 1.855 1.00 0.00 O ATOM 418 CB TYR A 52 -18.652 -2.611 1.370 1.00 0.00 C ATOM 419 CG TYR A 52 -18.672 -4.087 1.701 1.00 0.00 C ATOM 420 CD1 TYR A 52 -18.633 -4.556 3.008 1.00 0.00 C ATOM 421 CD2 TYR A 52 -18.739 -5.007 0.676 1.00 0.00 C ATOM 422 CE1 TYR A 52 -18.662 -5.918 3.272 1.00 0.00 C ATOM 423 CE2 TYR A 52 -18.764 -6.363 0.923 1.00 0.00 C ATOM 424 CZ TYR A 52 -18.726 -6.816 2.219 1.00 0.00 C ATOM 425 OH TYR A 52 -18.747 -8.174 2.466 1.00 0.00 O ATOM 0 H TYR A 52 -18.121 -0.759 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 52 -17.047 -1.606 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -19.299 -2.092 2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -19.088 -2.475 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -18.580 -3.854 3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -18.773 -4.657 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -18.635 -6.275 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -18.813 -7.064 0.103 1.00 0.00 H new ATOM 0 HH TYR A 52 -19.654 -8.518 2.328 1.00 0.00 H new ATOM 435 N ILE A 53 -16.045 -3.233 -0.269 1.00 0.00 N ATOM 436 CA ILE A 53 -15.055 -4.177 -0.804 1.00 0.00 C ATOM 437 C ILE A 53 -13.637 -3.632 -0.631 1.00 0.00 C ATOM 438 O ILE A 53 -12.749 -4.307 -0.100 1.00 0.00 O ATOM 439 CB ILE A 53 -15.350 -4.448 -2.317 1.00 0.00 C ATOM 440 CG1 ILE A 53 -16.736 -5.106 -2.468 1.00 0.00 C ATOM 441 CG2 ILE A 53 -14.261 -5.317 -2.958 1.00 0.00 C ATOM 442 CD1 ILE A 53 -17.257 -5.169 -3.890 1.00 0.00 C ATOM 0 H ILE A 53 -16.677 -2.861 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.129 -5.113 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.349 -3.493 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -16.687 -6.119 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -17.452 -4.556 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.500 -5.484 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.299 -4.810 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -14.209 -6.275 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -18.236 -5.647 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -17.343 -4.159 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -16.567 -5.746 -4.505 1.00 0.00 H new ATOM 454 N VAL A 54 -13.460 -2.393 -1.029 1.00 0.00 N ATOM 455 CA VAL A 54 -12.192 -1.712 -0.954 1.00 0.00 C ATOM 456 C VAL A 54 -11.734 -1.560 0.493 1.00 0.00 C ATOM 457 O VAL A 54 -10.566 -1.732 0.779 1.00 0.00 O ATOM 458 CB VAL A 54 -12.259 -0.332 -1.693 1.00 0.00 C ATOM 459 CG1 VAL A 54 -11.047 0.522 -1.428 1.00 0.00 C ATOM 460 CG2 VAL A 54 -12.391 -0.554 -3.193 1.00 0.00 C ATOM 0 H VAL A 54 -14.208 -1.821 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 54 -11.446 -2.321 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.131 0.195 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.144 1.467 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.966 0.717 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.153 0.001 -1.770 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.437 0.409 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.529 -1.114 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -13.302 -1.116 -3.399 1.00 0.00 H new ATOM 470 N GLN A 55 -12.673 -1.303 1.407 1.00 0.00 N ATOM 471 CA GLN A 55 -12.352 -1.156 2.829 1.00 0.00 C ATOM 472 C GLN A 55 -11.704 -2.427 3.366 1.00 0.00 C ATOM 473 O GLN A 55 -10.675 -2.369 4.049 1.00 0.00 O ATOM 474 CB GLN A 55 -13.605 -0.849 3.640 1.00 0.00 C ATOM 475 CG GLN A 55 -13.349 -0.614 5.126 1.00 0.00 C ATOM 476 CD GLN A 55 -14.622 -0.384 5.914 1.00 0.00 C ATOM 477 OE1 GLN A 55 -15.624 0.146 5.274 1.00 0.00 O flip ATOM 478 NE2 GLN A 55 -14.701 -0.701 7.100 1.00 0.00 N flip ATOM 0 H GLN A 55 -13.663 -1.192 1.187 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.653 -0.325 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.087 0.035 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -14.306 -1.676 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.822 -1.474 5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.693 0.249 5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.897 -1.114 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.571 -0.551 7.611 1.00 0.00 H new ATOM 487 N LEU A 56 -12.291 -3.563 3.014 1.00 0.00 N ATOM 488 CA LEU A 56 -11.800 -4.867 3.443 1.00 0.00 C ATOM 489 C LEU A 56 -10.402 -5.109 2.885 1.00 0.00 C ATOM 490 O LEU A 56 -9.533 -5.659 3.544 1.00 0.00 O ATOM 491 CB LEU A 56 -12.744 -5.965 2.959 1.00 0.00 C ATOM 492 CG LEU A 56 -14.207 -5.848 3.396 1.00 0.00 C ATOM 493 CD1 LEU A 56 -15.015 -6.960 2.783 1.00 0.00 C ATOM 494 CD2 LEU A 56 -14.340 -5.884 4.909 1.00 0.00 C ATOM 0 H LEU A 56 -13.121 -3.607 2.423 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.758 -4.885 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.714 -5.986 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.359 -6.924 3.307 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.586 -4.887 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.055 -6.871 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.958 -6.895 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.618 -7.921 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.391 -5.799 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.941 -6.825 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.783 -5.054 5.343 1.00 0.00 H new ATOM 506 N GLN A 57 -10.205 -4.698 1.665 1.00 0.00 N ATOM 507 CA GLN A 57 -8.916 -4.803 1.018 1.00 0.00 C ATOM 508 C GLN A 57 -7.899 -3.838 1.656 1.00 0.00 C ATOM 509 O GLN A 57 -6.737 -4.165 1.790 1.00 0.00 O ATOM 510 CB GLN A 57 -9.044 -4.579 -0.474 1.00 0.00 C ATOM 511 CG GLN A 57 -9.971 -5.570 -1.159 1.00 0.00 C ATOM 512 CD GLN A 57 -10.103 -5.315 -2.639 1.00 0.00 C ATOM 513 OE1 GLN A 57 -9.985 -4.183 -3.103 1.00 0.00 O ATOM 514 NE2 GLN A 57 -10.366 -6.352 -3.389 1.00 0.00 N ATOM 0 H GLN A 57 -10.931 -4.279 1.084 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.539 -5.815 1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.411 -3.568 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.056 -4.644 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.596 -6.581 -1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.957 -5.519 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.457 -7.276 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.481 -6.237 -4.396 1.00 0.00 H new ATOM 523 N ILE A 58 -8.352 -2.649 2.026 1.00 0.00 N ATOM 524 CA ILE A 58 -7.514 -1.662 2.720 1.00 0.00 C ATOM 525 C ILE A 58 -7.019 -2.232 4.043 1.00 0.00 C ATOM 526 O ILE A 58 -5.830 -2.131 4.370 1.00 0.00 O ATOM 527 CB ILE A 58 -8.282 -0.319 2.987 1.00 0.00 C ATOM 528 CG1 ILE A 58 -8.571 0.420 1.676 1.00 0.00 C ATOM 529 CG2 ILE A 58 -7.515 0.588 3.956 1.00 0.00 C ATOM 530 CD1 ILE A 58 -9.453 1.643 1.838 1.00 0.00 C ATOM 0 H ILE A 58 -9.308 -2.335 1.857 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.668 -1.443 2.068 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.232 -0.578 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.626 0.724 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.048 -0.270 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.078 1.508 4.116 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.382 0.074 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.539 0.829 3.534 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.610 2.110 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.414 1.346 2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.969 2.354 2.508 1.00 0.00 H new ATOM 542 N GLU A 59 -7.917 -2.834 4.790 1.00 0.00 N ATOM 543 CA GLU A 59 -7.561 -3.427 6.054 1.00 0.00 C ATOM 544 C GLU A 59 -6.667 -4.645 5.845 1.00 0.00 C ATOM 545 O GLU A 59 -5.726 -4.852 6.600 1.00 0.00 O ATOM 546 CB GLU A 59 -8.778 -3.704 6.950 1.00 0.00 C ATOM 547 CG GLU A 59 -9.852 -4.542 6.329 1.00 0.00 C ATOM 548 CD GLU A 59 -10.943 -4.864 7.297 1.00 0.00 C ATOM 549 OE1 GLU A 59 -10.772 -5.791 8.095 1.00 0.00 O ATOM 550 OE2 GLU A 59 -11.989 -4.175 7.307 1.00 0.00 O ATOM 0 H GLU A 59 -8.902 -2.925 4.541 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.976 -2.695 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.434 -4.198 7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.212 -2.750 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.272 -4.016 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.417 -5.468 5.953 1.00 0.00 H new ATOM 557 N ASP A 60 -6.936 -5.400 4.774 1.00 0.00 N ATOM 558 CA ASP A 60 -6.111 -6.561 4.363 1.00 0.00 C ATOM 559 C ASP A 60 -4.700 -6.082 4.110 1.00 0.00 C ATOM 560 O ASP A 60 -3.727 -6.657 4.606 1.00 0.00 O ATOM 561 CB ASP A 60 -6.611 -7.069 3.019 1.00 0.00 C ATOM 562 CG ASP A 60 -5.883 -8.282 2.475 1.00 0.00 C ATOM 563 OD1 ASP A 60 -4.842 -8.115 1.807 1.00 0.00 O ATOM 564 OD2 ASP A 60 -6.350 -9.418 2.691 1.00 0.00 O ATOM 0 H ASP A 60 -7.733 -5.229 4.160 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.159 -7.327 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.670 -7.312 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.532 -6.261 2.291 1.00 0.00 H new ATOM 569 N LEU A 61 -4.609 -4.991 3.374 1.00 0.00 N ATOM 570 CA LEU A 61 -3.346 -4.404 3.027 1.00 0.00 C ATOM 571 C LEU A 61 -2.629 -3.890 4.225 1.00 0.00 C ATOM 572 O LEU A 61 -1.487 -4.224 4.434 1.00 0.00 O ATOM 573 CB LEU A 61 -3.506 -3.315 1.984 1.00 0.00 C ATOM 574 CG LEU A 61 -3.779 -3.809 0.573 1.00 0.00 C ATOM 575 CD1 LEU A 61 -4.234 -2.678 -0.289 1.00 0.00 C ATOM 576 CD2 LEU A 61 -2.518 -4.410 -0.009 1.00 0.00 C ATOM 0 H LEU A 61 -5.417 -4.491 3.003 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.737 -5.196 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.323 -2.660 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.600 -2.710 1.971 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.562 -4.567 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.427 -3.044 -1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.149 -2.252 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.459 -1.912 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.717 -4.763 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.734 -3.654 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.194 -5.246 0.610 1.00 0.00 H new ATOM 588 N THR A 62 -3.309 -3.132 5.041 1.00 0.00 N ATOM 589 CA THR A 62 -2.709 -2.547 6.182 1.00 0.00 C ATOM 590 C THR A 62 -2.244 -3.641 7.162 1.00 0.00 C ATOM 591 O THR A 62 -1.173 -3.545 7.729 1.00 0.00 O ATOM 592 CB THR A 62 -3.670 -1.539 6.840 1.00 0.00 C ATOM 593 OG1 THR A 62 -4.163 -0.636 5.828 1.00 0.00 O ATOM 594 CG2 THR A 62 -2.952 -0.721 7.876 1.00 0.00 C ATOM 0 H THR A 62 -4.297 -2.909 4.923 1.00 0.00 H new ATOM 0 HA THR A 62 -1.823 -1.990 5.876 1.00 0.00 H new ATOM 0 HB THR A 62 -4.484 -2.091 7.310 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.880 -1.072 5.322 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.648 -0.015 8.329 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.551 -1.380 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.135 -0.174 7.405 1.00 0.00 H new ATOM 602 N ARG A 63 -3.025 -4.712 7.254 1.00 0.00 N ATOM 603 CA ARG A 63 -2.717 -5.897 8.072 1.00 0.00 C ATOM 604 C ARG A 63 -1.370 -6.463 7.627 1.00 0.00 C ATOM 605 O ARG A 63 -0.501 -6.798 8.436 1.00 0.00 O ATOM 606 CB ARG A 63 -3.787 -6.936 7.763 1.00 0.00 C ATOM 607 CG ARG A 63 -3.723 -8.242 8.513 1.00 0.00 C ATOM 608 CD ARG A 63 -4.567 -9.272 7.778 1.00 0.00 C ATOM 609 NE ARG A 63 -3.824 -9.883 6.659 1.00 0.00 N ATOM 610 CZ ARG A 63 -4.322 -10.084 5.430 1.00 0.00 C ATOM 611 NH1 ARG A 63 -5.591 -9.804 5.180 1.00 0.00 N ATOM 612 NH2 ARG A 63 -3.565 -10.614 4.474 1.00 0.00 N ATOM 0 H ARG A 63 -3.911 -4.790 6.754 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.687 -5.647 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.760 -6.485 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.743 -7.157 6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.691 -8.584 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.090 -8.111 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.882 -10.049 8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.472 -8.798 7.399 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.862 -10.174 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.188 -9.436 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.972 -9.956 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.598 -10.871 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.951 -10.764 3.542 1.00 0.00 H new ATOM 626 N LYS A 64 -1.219 -6.510 6.332 1.00 0.00 N ATOM 627 CA LYS A 64 -0.067 -6.991 5.654 1.00 0.00 C ATOM 628 C LYS A 64 1.172 -6.173 5.994 1.00 0.00 C ATOM 629 O LYS A 64 2.189 -6.739 6.350 1.00 0.00 O ATOM 630 CB LYS A 64 -0.423 -6.976 4.185 1.00 0.00 C ATOM 631 CG LYS A 64 0.662 -6.881 3.185 1.00 0.00 C ATOM 632 CD LYS A 64 0.050 -6.833 1.789 1.00 0.00 C ATOM 633 CE LYS A 64 -0.924 -7.993 1.583 1.00 0.00 C ATOM 634 NZ LYS A 64 -1.440 -8.085 0.210 1.00 0.00 N ATOM 0 H LYS A 64 -1.946 -6.192 5.691 1.00 0.00 H new ATOM 0 HA LYS A 64 0.199 -8.002 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.986 -7.885 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.098 -6.137 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.261 -5.988 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.331 -7.737 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.470 -5.886 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.840 -6.878 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.424 -8.927 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.762 -7.881 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.383 -8.524 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.507 -7.132 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.796 -8.664 -0.365 1.00 0.00 H new ATOM 648 N LEU A 65 1.078 -4.862 5.945 1.00 0.00 N ATOM 649 CA LEU A 65 2.221 -4.034 6.336 1.00 0.00 C ATOM 650 C LEU A 65 2.466 -4.053 7.846 1.00 0.00 C ATOM 651 O LEU A 65 3.599 -3.900 8.300 1.00 0.00 O ATOM 652 CB LEU A 65 2.163 -2.588 5.788 1.00 0.00 C ATOM 653 CG LEU A 65 0.797 -1.910 5.731 1.00 0.00 C ATOM 654 CD1 LEU A 65 0.902 -0.482 6.149 1.00 0.00 C ATOM 655 CD2 LEU A 65 0.281 -1.932 4.311 1.00 0.00 C ATOM 0 H LEU A 65 0.249 -4.347 5.648 1.00 0.00 H new ATOM 0 HA LEU A 65 3.082 -4.501 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.820 -1.970 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.578 -2.593 4.780 1.00 0.00 H new ATOM 0 HG LEU A 65 0.125 -2.447 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.082 -0.016 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.280 -0.429 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.585 0.043 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.695 -1.448 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.977 -1.400 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.188 -2.964 3.974 1.00 0.00 H new ATOM 667 N ARG A 66 1.410 -4.259 8.601 1.00 0.00 N ATOM 668 CA ARG A 66 1.475 -4.297 10.059 1.00 0.00 C ATOM 669 C ARG A 66 2.191 -5.537 10.593 1.00 0.00 C ATOM 670 O ARG A 66 3.069 -5.426 11.444 1.00 0.00 O ATOM 671 CB ARG A 66 0.067 -4.166 10.653 1.00 0.00 C ATOM 672 CG ARG A 66 -0.484 -2.756 10.555 1.00 0.00 C ATOM 673 CD ARG A 66 -2.004 -2.701 10.654 1.00 0.00 C ATOM 674 NE ARG A 66 -2.560 -3.315 11.861 1.00 0.00 N ATOM 675 CZ ARG A 66 -3.478 -2.727 12.654 1.00 0.00 C ATOM 676 NH1 ARG A 66 -3.767 -1.427 12.506 1.00 0.00 N ATOM 677 NH2 ARG A 66 -4.082 -3.429 13.619 1.00 0.00 N ATOM 0 H ARG A 66 0.473 -4.407 8.226 1.00 0.00 H new ATOM 0 HA ARG A 66 2.076 -3.445 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.605 -4.851 10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.089 -4.470 11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.052 -2.147 11.349 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.171 -2.315 9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.320 -1.659 10.614 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.430 -3.196 9.781 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.232 -4.246 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.292 -0.877 11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.462 -0.987 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.848 -4.412 13.757 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.776 -2.981 14.217 1.00 0.00 H new ATOM 691 N THR A 67 1.851 -6.709 10.085 1.00 0.00 N ATOM 692 CA THR A 67 2.470 -7.923 10.594 1.00 0.00 C ATOM 693 C THR A 67 3.523 -8.502 9.626 1.00 0.00 C ATOM 694 O THR A 67 4.325 -9.351 10.008 1.00 0.00 O ATOM 695 CB THR A 67 1.403 -9.002 10.990 1.00 0.00 C ATOM 696 OG1 THR A 67 2.022 -10.138 11.625 1.00 0.00 O ATOM 697 CG2 THR A 67 0.604 -9.478 9.780 1.00 0.00 C ATOM 0 H THR A 67 1.168 -6.847 9.340 1.00 0.00 H new ATOM 0 HA THR A 67 3.001 -7.636 11.502 1.00 0.00 H new ATOM 0 HB THR A 67 0.721 -8.523 11.693 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.931 -10.252 11.278 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.124 -10.225 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.084 -8.631 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.281 -9.918 9.048 1.00 0.00 H new ATOM 705 N GLY A 68 3.536 -8.034 8.397 1.00 0.00 N ATOM 706 CA GLY A 68 4.492 -8.549 7.435 1.00 0.00 C ATOM 707 C GLY A 68 3.935 -9.730 6.664 1.00 0.00 C ATOM 708 O GLY A 68 4.688 -10.599 6.208 1.00 0.00 O ATOM 0 H GLY A 68 2.909 -7.312 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.768 -7.758 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.403 -8.850 7.953 1.00 0.00 H new ATOM 712 N ASP A 69 2.625 -9.758 6.516 1.00 0.00 N ATOM 713 CA ASP A 69 1.943 -10.839 5.806 1.00 0.00 C ATOM 714 C ASP A 69 1.908 -10.557 4.321 1.00 0.00 C ATOM 715 O ASP A 69 1.052 -9.844 3.831 1.00 0.00 O ATOM 716 CB ASP A 69 0.519 -11.074 6.349 1.00 0.00 C ATOM 717 CG ASP A 69 -0.281 -12.108 5.544 1.00 0.00 C ATOM 718 OD1 ASP A 69 -0.042 -13.330 5.683 1.00 0.00 O ATOM 719 OD2 ASP A 69 -1.190 -11.717 4.788 1.00 0.00 O ATOM 0 H ASP A 69 2.000 -9.039 6.880 1.00 0.00 H new ATOM 0 HA ASP A 69 2.511 -11.754 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.584 -11.404 7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.022 -10.128 6.349 1.00 0.00 H new ATOM 724 N LEU A 70 2.894 -11.045 3.631 1.00 0.00 N ATOM 725 CA LEU A 70 2.982 -10.883 2.192 1.00 0.00 C ATOM 726 C LEU A 70 2.521 -12.131 1.488 1.00 0.00 C ATOM 727 O LEU A 70 2.046 -12.082 0.355 1.00 0.00 O ATOM 728 CB LEU A 70 4.420 -10.502 1.760 1.00 0.00 C ATOM 729 CG LEU A 70 4.701 -9.015 1.539 1.00 0.00 C ATOM 730 CD1 LEU A 70 3.970 -8.529 0.300 1.00 0.00 C ATOM 731 CD2 LEU A 70 4.284 -8.196 2.755 1.00 0.00 C ATOM 0 H LEU A 70 3.667 -11.569 4.041 1.00 0.00 H new ATOM 0 HA LEU A 70 2.321 -10.065 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.111 -10.870 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.649 -11.032 0.836 1.00 0.00 H new ATOM 0 HG LEU A 70 5.773 -8.884 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.175 -7.469 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.312 -9.092 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.898 -8.677 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.494 -7.142 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.217 -8.328 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.843 -8.532 3.629 1.00 0.00 H new ATOM 743 N GLY A 71 2.675 -13.254 2.164 1.00 0.00 N ATOM 744 CA GLY A 71 2.290 -14.527 1.607 1.00 0.00 C ATOM 745 C GLY A 71 3.337 -15.070 0.657 1.00 0.00 C ATOM 746 O GLY A 71 3.209 -16.174 0.136 1.00 0.00 O ATOM 0 H GLY A 71 3.067 -13.305 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.127 -15.241 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.342 -14.420 1.079 1.00 0.00 H new ATOM 750 N ILE A 72 4.372 -14.302 0.443 1.00 0.00 N ATOM 751 CA ILE A 72 5.426 -14.666 -0.459 1.00 0.00 C ATOM 752 C ILE A 72 6.690 -14.944 0.339 1.00 0.00 C ATOM 753 O ILE A 72 7.277 -14.014 0.913 1.00 0.00 O ATOM 754 CB ILE A 72 5.720 -13.530 -1.485 1.00 0.00 C ATOM 755 CG1 ILE A 72 4.439 -13.144 -2.247 1.00 0.00 C ATOM 756 CG2 ILE A 72 6.816 -13.968 -2.466 1.00 0.00 C ATOM 757 CD1 ILE A 72 4.611 -11.985 -3.214 1.00 0.00 C ATOM 0 H ILE A 72 4.506 -13.398 0.896 1.00 0.00 H new ATOM 0 HA ILE A 72 5.110 -15.553 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 72 6.071 -12.654 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.084 -14.013 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.664 -12.887 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.011 -13.165 -3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.729 -14.194 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.488 -14.857 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.661 -11.779 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.935 -11.100 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.360 -12.243 -3.962 1.00 0.00 H new ATOM 769 N PRO A 73 7.093 -16.210 0.453 1.00 0.00 N ATOM 770 CA PRO A 73 8.339 -16.566 1.097 1.00 0.00 C ATOM 771 C PRO A 73 9.499 -16.214 0.180 1.00 0.00 C ATOM 772 O PRO A 73 9.412 -16.426 -1.043 1.00 0.00 O ATOM 773 CB PRO A 73 8.266 -18.092 1.260 1.00 0.00 C ATOM 774 CG PRO A 73 6.867 -18.472 0.897 1.00 0.00 C ATOM 775 CD PRO A 73 6.370 -17.396 -0.020 1.00 0.00 C ATOM 0 HA PRO A 73 8.485 -16.047 2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 73 8.987 -18.590 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.499 -18.388 2.283 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.842 -19.445 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.240 -18.547 1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 73 6.594 -17.618 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.290 -17.268 0.054 1.00 0.00 H new ATOM 783 N PRO A 74 10.578 -15.666 0.714 1.00 0.00 N ATOM 784 CA PRO A 74 11.733 -15.335 -0.092 1.00 0.00 C ATOM 785 C PRO A 74 12.403 -16.604 -0.594 1.00 0.00 C ATOM 786 O PRO A 74 12.455 -17.618 0.117 1.00 0.00 O ATOM 787 CB PRO A 74 12.677 -14.594 0.869 1.00 0.00 C ATOM 788 CG PRO A 74 11.901 -14.367 2.123 1.00 0.00 C ATOM 789 CD PRO A 74 10.766 -15.347 2.129 1.00 0.00 C ATOM 0 HA PRO A 74 11.470 -14.739 -0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.572 -15.183 1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.007 -13.648 0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.535 -14.508 2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.526 -13.344 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.007 -16.236 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.866 -14.915 2.565 1.00 0.00 H new ATOM 797 N ASN A 75 12.883 -16.575 -1.798 1.00 0.00 N ATOM 798 CA ASN A 75 13.561 -17.719 -2.342 1.00 0.00 C ATOM 799 C ASN A 75 15.024 -17.423 -2.523 1.00 0.00 C ATOM 800 O ASN A 75 15.386 -16.420 -3.140 1.00 0.00 O ATOM 801 CB ASN A 75 12.933 -18.264 -3.660 1.00 0.00 C ATOM 802 CG ASN A 75 12.882 -17.280 -4.827 1.00 0.00 C ATOM 803 OD1 ASN A 75 12.696 -16.067 -4.653 1.00 0.00 O ATOM 804 ND2 ASN A 75 13.054 -17.791 -6.022 1.00 0.00 N ATOM 0 H ASN A 75 12.820 -15.774 -2.426 1.00 0.00 H new ATOM 0 HA ASN A 75 13.439 -18.519 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.498 -19.142 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.918 -18.598 -3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.037 -17.186 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.205 -18.794 -6.131 1.00 0.00 H new ATOM 811 N PRO A 76 15.902 -18.295 -1.997 1.00 0.00 N ATOM 812 CA PRO A 76 17.362 -18.126 -2.111 1.00 0.00 C ATOM 813 C PRO A 76 17.824 -18.222 -3.569 1.00 0.00 C ATOM 814 O PRO A 76 18.879 -17.726 -3.945 1.00 0.00 O ATOM 815 CB PRO A 76 17.921 -19.302 -1.293 1.00 0.00 C ATOM 816 CG PRO A 76 16.815 -20.300 -1.267 1.00 0.00 C ATOM 817 CD PRO A 76 15.551 -19.509 -1.222 1.00 0.00 C ATOM 0 HA PRO A 76 17.699 -17.152 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.818 -19.716 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.197 -18.989 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.845 -20.939 -2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.898 -20.953 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.718 -20.050 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.260 -19.267 -0.200 1.00 0.00 H new ATOM 825 N GLU A 77 16.979 -18.819 -4.381 1.00 0.00 N ATOM 826 CA GLU A 77 17.249 -19.025 -5.782 1.00 0.00 C ATOM 827 C GLU A 77 17.122 -17.726 -6.575 1.00 0.00 C ATOM 828 O GLU A 77 17.561 -17.651 -7.720 1.00 0.00 O ATOM 829 CB GLU A 77 16.281 -20.057 -6.348 1.00 0.00 C ATOM 830 CG GLU A 77 16.319 -21.413 -5.652 1.00 0.00 C ATOM 831 CD GLU A 77 17.691 -22.031 -5.639 1.00 0.00 C ATOM 832 OE1 GLU A 77 18.290 -22.220 -6.711 1.00 0.00 O ATOM 833 OE2 GLU A 77 18.191 -22.371 -4.552 1.00 0.00 O ATOM 0 H GLU A 77 16.073 -19.179 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 77 18.274 -19.383 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.268 -19.659 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.501 -20.200 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.969 -21.298 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.626 -22.091 -6.151 1.00 0.00 H new ATOM 840 N ASP A 78 16.526 -16.707 -5.974 1.00 0.00 N ATOM 841 CA ASP A 78 16.318 -15.448 -6.681 1.00 0.00 C ATOM 842 C ASP A 78 17.575 -14.605 -6.660 1.00 0.00 C ATOM 843 O ASP A 78 17.876 -13.908 -7.634 1.00 0.00 O ATOM 844 CB ASP A 78 15.146 -14.681 -6.073 1.00 0.00 C ATOM 845 CG ASP A 78 14.823 -13.387 -6.796 1.00 0.00 C ATOM 846 OD1 ASP A 78 14.288 -13.437 -7.930 1.00 0.00 O ATOM 847 OD2 ASP A 78 15.028 -12.301 -6.221 1.00 0.00 O ATOM 0 H ASP A 78 16.182 -16.723 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 78 16.080 -15.675 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 78 14.263 -15.320 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.371 -14.458 -5.030 1.00 0.00 H new ATOM 852 N ARG A 79 18.343 -14.730 -5.567 1.00 0.00 N ATOM 853 CA ARG A 79 19.606 -14.000 -5.369 1.00 0.00 C ATOM 854 C ARG A 79 19.355 -12.502 -5.420 1.00 0.00 C ATOM 855 O ARG A 79 20.122 -11.745 -6.040 1.00 0.00 O ATOM 856 CB ARG A 79 20.629 -14.393 -6.424 1.00 0.00 C ATOM 857 CG ARG A 79 20.955 -15.870 -6.468 1.00 0.00 C ATOM 858 CD ARG A 79 21.941 -16.161 -7.582 1.00 0.00 C ATOM 859 NE ARG A 79 23.216 -15.471 -7.375 1.00 0.00 N ATOM 860 CZ ARG A 79 23.669 -14.442 -8.102 1.00 0.00 C ATOM 861 NH1 ARG A 79 22.912 -13.902 -9.062 1.00 0.00 N ATOM 862 NH2 ARG A 79 24.867 -13.933 -7.849 1.00 0.00 N ATOM 0 H ARG A 79 18.104 -15.345 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 79 20.005 -14.263 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 79 20.258 -14.087 -7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 79 21.549 -13.837 -6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.373 -16.185 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 79 20.042 -16.446 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 79 22.115 -17.235 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 79 21.512 -15.854 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 79 23.808 -15.802 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 79 21.980 -14.274 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 79 23.266 -13.118 -9.610 1.00 0.00 H new ATOM 0 HH21 ARG A 79 25.441 -14.325 -7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 79 25.215 -13.149 -8.401 1.00 0.00 H new ATOM 876 N SER A 80 18.318 -12.092 -4.727 1.00 0.00 N ATOM 877 CA SER A 80 17.862 -10.728 -4.683 1.00 0.00 C ATOM 878 C SER A 80 18.941 -9.794 -4.109 1.00 0.00 C ATOM 879 O SER A 80 19.338 -9.933 -2.942 1.00 0.00 O ATOM 880 CB SER A 80 16.600 -10.701 -3.834 1.00 0.00 C ATOM 881 OG SER A 80 16.791 -11.489 -2.657 1.00 0.00 O ATOM 0 H SER A 80 17.752 -12.723 -4.160 1.00 0.00 H new ATOM 0 HA SER A 80 17.651 -10.367 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.357 -9.674 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.757 -11.086 -4.407 1.00 0.00 H new ATOM 0 HG SER A 80 17.665 -11.284 -2.264 1.00 0.00 H new ATOM 887 N PRO A 81 19.435 -8.852 -4.925 1.00 0.00 N ATOM 888 CA PRO A 81 20.503 -7.942 -4.522 1.00 0.00 C ATOM 889 C PRO A 81 20.054 -6.938 -3.458 1.00 0.00 C ATOM 890 O PRO A 81 18.863 -6.615 -3.338 1.00 0.00 O ATOM 891 CB PRO A 81 20.872 -7.219 -5.823 1.00 0.00 C ATOM 892 CG PRO A 81 19.633 -7.277 -6.642 1.00 0.00 C ATOM 893 CD PRO A 81 18.986 -8.589 -6.312 1.00 0.00 C ATOM 0 HA PRO A 81 21.336 -8.477 -4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 81 21.175 -6.189 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 81 21.705 -7.709 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.970 -6.444 -6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.864 -7.211 -7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.900 -8.530 -6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 81 19.305 -9.377 -6.994 1.00 0.00 H new ATOM 901 N SER A 82 20.991 -6.478 -2.680 1.00 0.00 N ATOM 902 CA SER A 82 20.722 -5.516 -1.667 1.00 0.00 C ATOM 903 C SER A 82 21.480 -4.218 -1.987 1.00 0.00 C ATOM 904 O SER A 82 22.711 -4.151 -1.847 1.00 0.00 O ATOM 905 CB SER A 82 21.124 -6.076 -0.286 1.00 0.00 C ATOM 906 OG SER A 82 20.727 -5.206 0.770 1.00 0.00 O ATOM 0 H SER A 82 21.968 -6.766 -2.736 1.00 0.00 H new ATOM 0 HA SER A 82 19.655 -5.296 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.666 -7.055 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.204 -6.221 -0.252 1.00 0.00 H new ATOM 0 HG SER A 82 20.995 -5.592 1.630 1.00 0.00 H new ATOM 912 N PRO A 83 20.788 -3.205 -2.516 1.00 0.00 N ATOM 913 CA PRO A 83 21.381 -1.900 -2.769 1.00 0.00 C ATOM 914 C PRO A 83 21.450 -1.106 -1.470 1.00 0.00 C ATOM 915 O PRO A 83 20.569 -1.245 -0.606 1.00 0.00 O ATOM 916 CB PRO A 83 20.400 -1.227 -3.746 1.00 0.00 C ATOM 917 CG PRO A 83 19.343 -2.252 -4.041 1.00 0.00 C ATOM 918 CD PRO A 83 19.383 -3.242 -2.922 1.00 0.00 C ATOM 0 HA PRO A 83 22.394 -1.962 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 83 19.963 -0.331 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 83 20.909 -0.917 -4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.360 -1.786 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.533 -2.740 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.717 -2.959 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 83 19.081 -4.237 -3.250 1.00 0.00 H new ATOM 926 N GLU A 84 22.457 -0.290 -1.316 1.00 0.00 N ATOM 927 CA GLU A 84 22.609 0.448 -0.088 1.00 0.00 C ATOM 928 C GLU A 84 21.827 1.763 -0.136 1.00 0.00 C ATOM 929 O GLU A 84 21.936 2.530 -1.101 1.00 0.00 O ATOM 930 CB GLU A 84 24.090 0.641 0.274 1.00 0.00 C ATOM 931 CG GLU A 84 24.921 1.375 -0.757 1.00 0.00 C ATOM 932 CD GLU A 84 26.386 1.321 -0.435 1.00 0.00 C ATOM 933 OE1 GLU A 84 27.061 0.379 -0.884 1.00 0.00 O ATOM 934 OE2 GLU A 84 26.892 2.190 0.304 1.00 0.00 O ATOM 0 H GLU A 84 23.179 -0.119 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 84 22.176 -0.141 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 84 24.148 1.185 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 84 24.536 -0.339 0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 84 24.749 0.938 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.599 2.415 -0.810 1.00 0.00 H new ATOM 941 N PRO A 85 20.978 2.006 0.869 1.00 0.00 N ATOM 942 CA PRO A 85 20.163 3.209 0.924 1.00 0.00 C ATOM 943 C PRO A 85 21.012 4.463 1.122 1.00 0.00 C ATOM 944 O PRO A 85 21.961 4.475 1.932 1.00 0.00 O ATOM 945 CB PRO A 85 19.223 2.988 2.118 1.00 0.00 C ATOM 946 CG PRO A 85 19.841 1.897 2.930 1.00 0.00 C ATOM 947 CD PRO A 85 20.753 1.117 2.020 1.00 0.00 C ATOM 0 HA PRO A 85 19.622 3.370 -0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 85 19.117 3.900 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 85 18.225 2.707 1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 85 20.400 2.313 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 85 19.072 1.249 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 85 21.690 0.867 2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 85 20.296 0.177 1.711 1.00 0.00 H new ATOM 955 N ILE A 86 20.667 5.505 0.392 1.00 0.00 N ATOM 956 CA ILE A 86 21.378 6.755 0.445 1.00 0.00 C ATOM 957 C ILE A 86 20.924 7.529 1.694 1.00 0.00 C ATOM 958 O ILE A 86 19.808 7.325 2.204 1.00 0.00 O ATOM 959 CB ILE A 86 21.158 7.598 -0.862 1.00 0.00 C ATOM 960 CG1 ILE A 86 22.125 8.792 -0.947 1.00 0.00 C ATOM 961 CG2 ILE A 86 19.726 8.092 -0.953 1.00 0.00 C ATOM 962 CD1 ILE A 86 23.594 8.404 -1.006 1.00 0.00 C ATOM 0 H ILE A 86 19.880 5.502 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 86 22.448 6.558 0.510 1.00 0.00 H new ATOM 0 HB ILE A 86 21.363 6.936 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 86 21.881 9.380 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 86 21.966 9.436 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 86 19.599 8.673 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 86 19.047 7.239 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 86 19.502 8.719 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 86 24.206 9.304 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 86 23.858 7.843 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 86 23.772 7.786 -1.886 1.00 0.00 H new ATOM 974 N TYR A 87 21.777 8.371 2.176 1.00 0.00 N ATOM 975 CA TYR A 87 21.579 9.040 3.424 1.00 0.00 C ATOM 976 C TYR A 87 20.883 10.365 3.234 1.00 0.00 C ATOM 977 O TYR A 87 20.939 10.975 2.158 1.00 0.00 O ATOM 978 CB TYR A 87 22.933 9.273 4.094 1.00 0.00 C ATOM 979 CG TYR A 87 23.760 8.016 4.246 1.00 0.00 C ATOM 980 CD1 TYR A 87 24.488 7.515 3.172 1.00 0.00 C ATOM 981 CD2 TYR A 87 23.818 7.339 5.449 1.00 0.00 C ATOM 982 CE1 TYR A 87 25.243 6.377 3.291 1.00 0.00 C ATOM 983 CE2 TYR A 87 24.578 6.195 5.578 1.00 0.00 C ATOM 984 CZ TYR A 87 25.288 5.720 4.493 1.00 0.00 C ATOM 985 OH TYR A 87 26.037 4.569 4.612 1.00 0.00 O ATOM 0 H TYR A 87 22.648 8.620 1.707 1.00 0.00 H new ATOM 0 HA TYR A 87 20.949 8.410 4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 87 23.497 10.000 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 87 22.771 9.712 5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 87 24.458 8.033 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 87 23.262 7.710 6.298 1.00 0.00 H new ATOM 0 HE1 TYR A 87 25.798 6.001 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 87 24.618 5.673 6.523 1.00 0.00 H new ATOM 0 HH TYR A 87 25.965 4.225 5.527 1.00 0.00 H new ATOM 995 N ASN A 88 20.194 10.782 4.253 1.00 0.00 N ATOM 996 CA ASN A 88 19.597 12.099 4.280 1.00 0.00 C ATOM 997 C ASN A 88 20.611 13.068 4.792 1.00 0.00 C ATOM 998 O ASN A 88 21.580 12.655 5.425 1.00 0.00 O ATOM 999 CB ASN A 88 18.358 12.162 5.179 1.00 0.00 C ATOM 1000 CG ASN A 88 17.177 11.406 4.640 1.00 0.00 C ATOM 1001 OD1 ASN A 88 17.050 11.224 3.434 1.00 0.00 O ATOM 1002 ND2 ASN A 88 16.272 11.027 5.511 1.00 0.00 N ATOM 0 H ASN A 88 20.025 10.226 5.092 1.00 0.00 H new ATOM 0 HA ASN A 88 19.282 12.344 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 88 18.613 11.765 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.076 13.205 5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 88 15.422 10.561 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 88 16.418 11.198 6.506 1.00 0.00 H new ATOM 1009 N SER A 89 20.380 14.348 4.572 1.00 0.00 N ATOM 1010 CA SER A 89 21.276 15.403 5.007 1.00 0.00 C ATOM 1011 C SER A 89 21.419 15.390 6.540 1.00 0.00 C ATOM 1012 O SER A 89 22.440 15.776 7.084 1.00 0.00 O ATOM 1013 CB SER A 89 20.698 16.722 4.535 1.00 0.00 C ATOM 1014 OG SER A 89 20.231 16.583 3.197 1.00 0.00 O ATOM 0 H SER A 89 19.554 14.689 4.080 1.00 0.00 H new ATOM 0 HA SER A 89 22.270 15.255 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.880 17.027 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.456 17.503 4.588 1.00 0.00 H new ATOM 0 HG SER A 89 19.855 17.435 2.891 1.00 0.00 H new ATOM 1020 N GLU A 90 20.394 14.889 7.210 1.00 0.00 N ATOM 1021 CA GLU A 90 20.373 14.779 8.663 1.00 0.00 C ATOM 1022 C GLU A 90 21.139 13.528 9.147 1.00 0.00 C ATOM 1023 O GLU A 90 21.224 13.268 10.346 1.00 0.00 O ATOM 1024 CB GLU A 90 18.930 14.703 9.144 1.00 0.00 C ATOM 1025 CG GLU A 90 18.189 13.480 8.634 1.00 0.00 C ATOM 1026 CD GLU A 90 16.786 13.402 9.144 1.00 0.00 C ATOM 1027 OE1 GLU A 90 16.603 13.202 10.357 1.00 0.00 O ATOM 1028 OE2 GLU A 90 15.853 13.512 8.347 1.00 0.00 O ATOM 0 H GLU A 90 19.546 14.544 6.760 1.00 0.00 H new ATOM 0 HA GLU A 90 20.864 15.660 9.076 1.00 0.00 H new ATOM 0 HB2 GLU A 90 18.918 14.698 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.400 15.600 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.175 13.497 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.730 12.582 8.932 1.00 0.00 H new ATOM 1035 N GLY A 91 21.658 12.750 8.213 1.00 0.00 N ATOM 1036 CA GLY A 91 22.411 11.569 8.572 1.00 0.00 C ATOM 1037 C GLY A 91 21.540 10.350 8.807 1.00 0.00 C ATOM 1038 O GLY A 91 21.908 9.451 9.565 1.00 0.00 O ATOM 0 H GLY A 91 21.571 12.915 7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.127 11.348 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.987 11.774 9.474 1.00 0.00 H new ATOM 1042 N LYS A 92 20.377 10.309 8.183 1.00 0.00 N ATOM 1043 CA LYS A 92 19.525 9.139 8.310 1.00 0.00 C ATOM 1044 C LYS A 92 19.747 8.144 7.206 1.00 0.00 C ATOM 1045 O LYS A 92 19.908 8.508 6.041 1.00 0.00 O ATOM 1046 CB LYS A 92 18.017 9.434 8.379 1.00 0.00 C ATOM 1047 CG LYS A 92 17.467 9.850 9.734 1.00 0.00 C ATOM 1048 CD LYS A 92 15.977 9.507 9.803 1.00 0.00 C ATOM 1049 CE LYS A 92 15.354 9.834 11.156 1.00 0.00 C ATOM 1050 NZ LYS A 92 15.121 11.276 11.342 1.00 0.00 N ATOM 0 H LYS A 92 20.005 11.055 7.595 1.00 0.00 H new ATOM 0 HA LYS A 92 19.830 8.725 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.791 10.224 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.480 8.544 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.007 9.338 10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.613 10.919 9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.447 10.054 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.844 8.445 9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.408 9.302 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.007 9.471 11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.992 11.479 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.939 11.809 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.268 11.560 10.820 1.00 0.00 H new ATOM 1064 N ARG A 93 19.748 6.905 7.599 1.00 0.00 N ATOM 1065 CA ARG A 93 19.758 5.765 6.733 1.00 0.00 C ATOM 1066 C ARG A 93 18.757 4.812 7.342 1.00 0.00 C ATOM 1067 O ARG A 93 18.661 4.747 8.567 1.00 0.00 O ATOM 1068 CB ARG A 93 21.141 5.137 6.652 1.00 0.00 C ATOM 1069 CG ARG A 93 21.177 3.865 5.833 1.00 0.00 C ATOM 1070 CD ARG A 93 22.569 3.331 5.722 1.00 0.00 C ATOM 1071 NE ARG A 93 22.603 1.948 5.235 1.00 0.00 N ATOM 1072 CZ ARG A 93 23.558 1.428 4.449 1.00 0.00 C ATOM 1073 NH1 ARG A 93 24.527 2.197 3.970 1.00 0.00 N ATOM 1074 NH2 ARG A 93 23.540 0.125 4.155 1.00 0.00 N ATOM 0 H ARG A 93 19.742 6.649 8.586 1.00 0.00 H new ATOM 0 HA ARG A 93 19.501 6.031 5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 93 21.835 5.858 6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.493 4.921 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 93 20.533 3.115 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 93 20.779 4.060 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 93 23.145 3.965 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.053 3.381 6.697 1.00 0.00 H new ATOM 0 HE ARG A 93 21.840 1.332 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 93 24.550 3.191 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 93 25.250 1.794 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.802 -0.472 4.528 1.00 0.00 H new ATOM 0 HH22 ARG A 93 24.265 -0.273 3.558 1.00 0.00 H new ATOM 1088 N LEU A 94 18.013 4.096 6.542 1.00 0.00 N ATOM 1089 CA LEU A 94 16.905 3.353 7.089 1.00 0.00 C ATOM 1090 C LEU A 94 16.753 1.918 6.579 1.00 0.00 C ATOM 1091 O LEU A 94 17.352 0.984 7.114 1.00 0.00 O ATOM 1092 CB LEU A 94 15.568 4.186 6.991 1.00 0.00 C ATOM 1093 CG LEU A 94 14.936 4.501 5.588 1.00 0.00 C ATOM 1094 CD1 LEU A 94 13.841 5.537 5.692 1.00 0.00 C ATOM 1095 CD2 LEU A 94 15.966 4.856 4.494 1.00 0.00 C ATOM 0 H LEU A 94 18.146 4.010 5.534 1.00 0.00 H new ATOM 0 HA LEU A 94 17.147 3.210 8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.814 3.657 7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.744 5.140 7.488 1.00 0.00 H new ATOM 0 HG LEU A 94 14.485 3.566 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 94 13.427 5.730 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.053 5.169 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.252 6.461 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 94 15.447 5.059 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.528 5.740 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 94 16.652 4.020 4.355 1.00 0.00 H new ATOM 1107 N ASN A 95 15.972 1.771 5.578 1.00 0.00 N ATOM 1108 CA ASN A 95 15.545 0.526 5.069 1.00 0.00 C ATOM 1109 C ASN A 95 15.746 0.520 3.584 1.00 0.00 C ATOM 1110 O ASN A 95 15.646 1.576 2.967 1.00 0.00 O ATOM 1111 CB ASN A 95 14.070 0.339 5.418 1.00 0.00 C ATOM 1112 CG ASN A 95 13.805 0.015 6.882 1.00 0.00 C ATOM 1113 OD1 ASN A 95 12.817 0.464 7.452 1.00 0.00 O ATOM 1114 ND2 ASN A 95 14.626 -0.800 7.478 1.00 0.00 N ATOM 0 H ASN A 95 15.591 2.564 5.061 1.00 0.00 H new ATOM 0 HA ASN A 95 16.118 -0.293 5.504 1.00 0.00 H new ATOM 0 HB2 ASN A 95 13.529 1.249 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 95 13.662 -0.462 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 95 14.455 -1.080 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 95 15.441 -1.158 6.979 1.00 0.00 H new ATOM 1121 N THR A 96 16.058 -0.608 3.007 1.00 0.00 N ATOM 1122 CA THR A 96 16.218 -0.659 1.583 1.00 0.00 C ATOM 1123 C THR A 96 15.173 -1.624 0.943 1.00 0.00 C ATOM 1124 O THR A 96 14.202 -1.172 0.325 1.00 0.00 O ATOM 1125 CB THR A 96 17.711 -0.941 1.155 1.00 0.00 C ATOM 1126 OG1 THR A 96 17.858 -0.981 -0.272 1.00 0.00 O ATOM 1127 CG2 THR A 96 18.288 -2.218 1.777 1.00 0.00 C ATOM 0 H THR A 96 16.204 -1.492 3.494 1.00 0.00 H new ATOM 0 HA THR A 96 16.005 0.330 1.178 1.00 0.00 H new ATOM 0 HB THR A 96 18.286 -0.101 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 96 18.806 -1.074 -0.501 1.00 0.00 H new ATOM 0 HG21 THR A 96 19.316 -2.353 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 96 18.268 -2.135 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.690 -3.075 1.468 1.00 0.00 H new ATOM 1135 N ARG A 97 15.301 -2.930 1.187 1.00 0.00 N ATOM 1136 CA ARG A 97 14.354 -3.898 0.650 1.00 0.00 C ATOM 1137 C ARG A 97 13.125 -3.881 1.528 1.00 0.00 C ATOM 1138 O ARG A 97 11.993 -4.072 1.065 1.00 0.00 O ATOM 1139 CB ARG A 97 14.942 -5.323 0.616 1.00 0.00 C ATOM 1140 CG ARG A 97 13.968 -6.349 0.035 1.00 0.00 C ATOM 1141 CD ARG A 97 14.492 -7.773 0.099 1.00 0.00 C ATOM 1142 NE ARG A 97 13.528 -8.715 -0.498 1.00 0.00 N ATOM 1143 CZ ARG A 97 13.655 -10.050 -0.546 1.00 0.00 C ATOM 1144 NH1 ARG A 97 14.645 -10.654 0.107 1.00 0.00 N ATOM 1145 NH2 ARG A 97 12.747 -10.776 -1.207 1.00 0.00 N ATOM 0 H ARG A 97 16.048 -3.336 1.750 1.00 0.00 H new ATOM 0 HA ARG A 97 14.113 -3.623 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 97 15.857 -5.320 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.218 -5.622 1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.024 -6.291 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.756 -6.093 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.444 -7.838 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.682 -8.049 1.136 1.00 0.00 H new ATOM 0 HE ARG A 97 12.686 -8.315 -0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.311 -10.102 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.737 -11.669 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.964 -10.315 -1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.837 -11.791 -1.248 1.00 0.00 H new ATOM 1159 N GLU A 98 13.366 -3.623 2.802 1.00 0.00 N ATOM 1160 CA GLU A 98 12.330 -3.539 3.808 1.00 0.00 C ATOM 1161 C GLU A 98 11.390 -2.420 3.415 1.00 0.00 C ATOM 1162 O GLU A 98 10.174 -2.597 3.345 1.00 0.00 O ATOM 1163 CB GLU A 98 12.914 -3.190 5.206 1.00 0.00 C ATOM 1164 CG GLU A 98 14.222 -3.890 5.614 1.00 0.00 C ATOM 1165 CD GLU A 98 15.457 -3.162 5.082 1.00 0.00 C ATOM 1166 OE1 GLU A 98 15.757 -3.265 3.888 1.00 0.00 O ATOM 1167 OE2 GLU A 98 16.105 -2.410 5.848 1.00 0.00 O ATOM 0 H GLU A 98 14.304 -3.464 3.169 1.00 0.00 H new ATOM 0 HA GLU A 98 11.828 -4.505 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.080 -2.113 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.158 -3.422 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.277 -3.948 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.216 -4.914 5.240 1.00 0.00 H new ATOM 1174 N PHE A 99 11.998 -1.287 3.080 1.00 0.00 N ATOM 1175 CA PHE A 99 11.269 -0.090 2.755 1.00 0.00 C ATOM 1176 C PHE A 99 10.530 -0.271 1.456 1.00 0.00 C ATOM 1177 O PHE A 99 9.377 0.075 1.357 1.00 0.00 O ATOM 1178 CB PHE A 99 12.211 1.105 2.648 1.00 0.00 C ATOM 1179 CG PHE A 99 11.518 2.419 2.789 1.00 0.00 C ATOM 1180 CD1 PHE A 99 11.133 2.847 4.040 1.00 0.00 C ATOM 1181 CD2 PHE A 99 11.261 3.224 1.693 1.00 0.00 C ATOM 1182 CE1 PHE A 99 10.498 4.062 4.209 1.00 0.00 C ATOM 1183 CE2 PHE A 99 10.624 4.442 1.850 1.00 0.00 C ATOM 1184 CZ PHE A 99 10.242 4.862 3.111 1.00 0.00 C ATOM 0 H PHE A 99 13.012 -1.184 3.029 1.00 0.00 H new ATOM 0 HA PHE A 99 10.553 0.101 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.979 1.023 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.720 1.072 1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.330 2.225 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.560 2.899 0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.202 4.386 5.196 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.425 5.064 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.745 5.812 3.238 1.00 0.00 H new ATOM 1194 N ARG A 100 11.198 -0.862 0.477 1.00 0.00 N ATOM 1195 CA ARG A 100 10.613 -1.073 -0.838 1.00 0.00 C ATOM 1196 C ARG A 100 9.365 -1.935 -0.758 1.00 0.00 C ATOM 1197 O ARG A 100 8.359 -1.633 -1.396 1.00 0.00 O ATOM 1198 CB ARG A 100 11.643 -1.683 -1.793 1.00 0.00 C ATOM 1199 CG ARG A 100 11.123 -1.930 -3.207 1.00 0.00 C ATOM 1200 CD ARG A 100 12.259 -2.250 -4.154 1.00 0.00 C ATOM 1201 NE ARG A 100 13.208 -1.131 -4.210 1.00 0.00 N ATOM 1202 CZ ARG A 100 14.341 -1.090 -4.923 1.00 0.00 C ATOM 1203 NH1 ARG A 100 14.701 -2.107 -5.700 1.00 0.00 N ATOM 1204 NH2 ARG A 100 15.113 -0.021 -4.855 1.00 0.00 N ATOM 0 H ARG A 100 12.154 -1.206 0.570 1.00 0.00 H new ATOM 0 HA ARG A 100 10.314 -0.102 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.507 -1.021 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.991 -2.628 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 100 10.410 -2.754 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.587 -1.049 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.772 -3.154 -3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.865 -2.451 -5.150 1.00 0.00 H new ATOM 0 HE ARG A 100 12.983 -0.307 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 100 14.111 -2.937 -5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 100 15.568 -2.058 -6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.845 0.765 -4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.978 0.019 -5.395 1.00 0.00 H new ATOM 1218 N THR A 101 9.414 -2.964 0.058 1.00 0.00 N ATOM 1219 CA THR A 101 8.288 -3.837 0.203 1.00 0.00 C ATOM 1220 C THR A 101 7.177 -3.144 1.006 1.00 0.00 C ATOM 1221 O THR A 101 6.051 -3.048 0.536 1.00 0.00 O ATOM 1222 CB THR A 101 8.699 -5.158 0.897 1.00 0.00 C ATOM 1223 OG1 THR A 101 9.902 -5.657 0.271 1.00 0.00 O ATOM 1224 CG2 THR A 101 7.584 -6.212 0.769 1.00 0.00 C ATOM 0 H THR A 101 10.224 -3.210 0.627 1.00 0.00 H new ATOM 0 HA THR A 101 7.912 -4.074 -0.792 1.00 0.00 H new ATOM 0 HB THR A 101 8.872 -4.964 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.677 -5.165 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.895 -7.132 1.264 1.00 0.00 H new ATOM 0 HG22 THR A 101 6.674 -5.837 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.393 -6.414 -0.285 1.00 0.00 H new ATOM 1232 N ARG A 102 7.517 -2.581 2.177 1.00 0.00 N ATOM 1233 CA ARG A 102 6.490 -1.989 3.029 1.00 0.00 C ATOM 1234 C ARG A 102 5.875 -0.742 2.406 1.00 0.00 C ATOM 1235 O ARG A 102 4.672 -0.525 2.509 1.00 0.00 O ATOM 1236 CB ARG A 102 6.966 -1.723 4.459 1.00 0.00 C ATOM 1237 CG ARG A 102 5.795 -1.481 5.408 1.00 0.00 C ATOM 1238 CD ARG A 102 6.218 -1.320 6.850 1.00 0.00 C ATOM 1239 NE ARG A 102 6.865 -0.035 7.131 1.00 0.00 N ATOM 1240 CZ ARG A 102 7.222 0.370 8.352 1.00 0.00 C ATOM 1241 NH1 ARG A 102 7.117 -0.466 9.392 1.00 0.00 N ATOM 1242 NH2 ARG A 102 7.698 1.596 8.527 1.00 0.00 N ATOM 0 H ARG A 102 8.468 -2.526 2.542 1.00 0.00 H new ATOM 0 HA ARG A 102 5.706 -2.742 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.551 -2.572 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 102 7.626 -0.856 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 102 5.259 -0.586 5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.097 -2.314 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.342 -1.424 7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.902 -2.127 7.112 1.00 0.00 H new ATOM 0 HE ARG A 102 7.054 0.588 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.764 -1.413 9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.390 -0.156 10.325 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.790 2.226 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.972 1.909 9.459 1.00 0.00 H new ATOM 1256 N LYS A 103 6.692 0.063 1.741 1.00 0.00 N ATOM 1257 CA LYS A 103 6.200 1.253 1.079 1.00 0.00 C ATOM 1258 C LYS A 103 5.251 0.866 -0.038 1.00 0.00 C ATOM 1259 O LYS A 103 4.224 1.498 -0.214 1.00 0.00 O ATOM 1260 CB LYS A 103 7.340 2.158 0.564 1.00 0.00 C ATOM 1261 CG LYS A 103 6.867 3.441 -0.124 1.00 0.00 C ATOM 1262 CD LYS A 103 5.954 4.271 0.777 1.00 0.00 C ATOM 1263 CE LYS A 103 6.672 4.811 2.003 1.00 0.00 C ATOM 1264 NZ LYS A 103 5.733 5.457 2.937 1.00 0.00 N ATOM 0 H LYS A 103 7.696 -0.090 1.648 1.00 0.00 H new ATOM 0 HA LYS A 103 5.656 1.843 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.982 2.426 1.403 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.951 1.589 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.732 4.038 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 103 6.336 3.186 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 103 5.545 5.104 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 103 5.111 3.658 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.190 3.997 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.432 5.529 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.263 5.874 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.208 6.205 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.064 4.749 3.302 1.00 0.00 H new ATOM 1278 N LYS A 104 5.579 -0.198 -0.759 1.00 0.00 N ATOM 1279 CA LYS A 104 4.710 -0.694 -1.812 1.00 0.00 C ATOM 1280 C LYS A 104 3.341 -1.064 -1.233 1.00 0.00 C ATOM 1281 O LYS A 104 2.312 -0.730 -1.806 1.00 0.00 O ATOM 1282 CB LYS A 104 5.340 -1.907 -2.510 1.00 0.00 C ATOM 1283 CG LYS A 104 4.438 -2.562 -3.549 1.00 0.00 C ATOM 1284 CD LYS A 104 4.048 -1.619 -4.678 1.00 0.00 C ATOM 1285 CE LYS A 104 3.101 -2.316 -5.637 1.00 0.00 C ATOM 1286 NZ LYS A 104 2.632 -1.431 -6.721 1.00 0.00 N ATOM 0 H LYS A 104 6.439 -0.732 -0.633 1.00 0.00 H new ATOM 0 HA LYS A 104 4.579 0.095 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.266 -1.595 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.607 -2.648 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.947 -3.430 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.535 -2.927 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.573 -0.727 -4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.940 -1.289 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.602 -3.181 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.241 -2.691 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.989 -1.958 -7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.129 -0.618 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.448 -1.092 -7.270 1.00 0.00 H new ATOM 1300 N LEU A 105 3.359 -1.684 -0.070 1.00 0.00 N ATOM 1301 CA LEU A 105 2.145 -2.111 0.623 1.00 0.00 C ATOM 1302 C LEU A 105 1.315 -0.905 1.002 1.00 0.00 C ATOM 1303 O LEU A 105 0.079 -0.898 0.849 1.00 0.00 O ATOM 1304 CB LEU A 105 2.508 -2.849 1.896 1.00 0.00 C ATOM 1305 CG LEU A 105 3.516 -3.965 1.779 1.00 0.00 C ATOM 1306 CD1 LEU A 105 3.782 -4.564 3.141 1.00 0.00 C ATOM 1307 CD2 LEU A 105 3.045 -5.011 0.798 1.00 0.00 C ATOM 0 H LEU A 105 4.219 -1.910 0.430 1.00 0.00 H new ATOM 0 HA LEU A 105 1.581 -2.763 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.890 -2.121 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.593 -3.263 2.320 1.00 0.00 H new ATOM 0 HG LEU A 105 4.452 -3.558 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.511 -5.369 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.174 -3.795 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.853 -4.961 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.787 -5.806 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.097 -5.428 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.910 -4.555 -0.183 1.00 0.00 H new ATOM 1319 N GLU A 106 1.999 0.122 1.501 1.00 0.00 N ATOM 1320 CA GLU A 106 1.357 1.358 1.874 1.00 0.00 C ATOM 1321 C GLU A 106 0.715 1.984 0.664 1.00 0.00 C ATOM 1322 O GLU A 106 -0.383 2.516 0.739 1.00 0.00 O ATOM 1323 CB GLU A 106 2.336 2.359 2.483 1.00 0.00 C ATOM 1324 CG GLU A 106 3.018 1.911 3.754 1.00 0.00 C ATOM 1325 CD GLU A 106 3.596 3.082 4.502 1.00 0.00 C ATOM 1326 OE1 GLU A 106 2.848 3.731 5.289 1.00 0.00 O ATOM 1327 OE2 GLU A 106 4.781 3.404 4.322 1.00 0.00 O ATOM 0 H GLU A 106 3.007 0.111 1.653 1.00 0.00 H new ATOM 0 HA GLU A 106 0.607 1.115 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.102 2.589 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.801 3.287 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.303 1.388 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.810 1.202 3.514 1.00 0.00 H new ATOM 1334 N GLU A 107 1.397 1.888 -0.440 1.00 0.00 N ATOM 1335 CA GLU A 107 0.948 2.445 -1.677 1.00 0.00 C ATOM 1336 C GLU A 107 -0.205 1.691 -2.303 1.00 0.00 C ATOM 1337 O GLU A 107 -1.080 2.299 -2.927 1.00 0.00 O ATOM 1338 CB GLU A 107 2.092 2.624 -2.625 1.00 0.00 C ATOM 1339 CG GLU A 107 3.066 3.699 -2.147 1.00 0.00 C ATOM 1340 CD GLU A 107 2.353 4.964 -1.663 1.00 0.00 C ATOM 1341 OE1 GLU A 107 1.920 5.780 -2.505 1.00 0.00 O ATOM 1342 OE2 GLU A 107 2.228 5.165 -0.433 1.00 0.00 O ATOM 0 H GLU A 107 2.297 1.411 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 107 0.542 3.430 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.622 1.678 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.709 2.893 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.676 3.298 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.745 3.957 -2.960 1.00 0.00 H new ATOM 1349 N GLU A 108 -0.214 0.382 -2.154 1.00 0.00 N ATOM 1350 CA GLU A 108 -1.342 -0.416 -2.597 1.00 0.00 C ATOM 1351 C GLU A 108 -2.566 0.006 -1.805 1.00 0.00 C ATOM 1352 O GLU A 108 -3.670 0.167 -2.353 1.00 0.00 O ATOM 1353 CB GLU A 108 -1.075 -1.904 -2.408 1.00 0.00 C ATOM 1354 CG GLU A 108 0.086 -2.433 -3.226 1.00 0.00 C ATOM 1355 CD GLU A 108 0.299 -3.907 -3.035 1.00 0.00 C ATOM 1356 OE1 GLU A 108 -0.467 -4.709 -3.608 1.00 0.00 O ATOM 1357 OE2 GLU A 108 1.237 -4.303 -2.343 1.00 0.00 O ATOM 0 H GLU A 108 0.545 -0.152 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.506 -0.250 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.880 -2.096 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.975 -2.460 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.094 -2.229 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.995 -1.899 -2.949 1.00 0.00 H new ATOM 1364 N ARG A 109 -2.353 0.214 -0.514 1.00 0.00 N ATOM 1365 CA ARG A 109 -3.374 0.728 0.369 1.00 0.00 C ATOM 1366 C ARG A 109 -3.783 2.126 -0.088 1.00 0.00 C ATOM 1367 O ARG A 109 -4.949 2.428 -0.181 1.00 0.00 O ATOM 1368 CB ARG A 109 -2.820 0.806 1.789 1.00 0.00 C ATOM 1369 CG ARG A 109 -3.754 1.442 2.800 1.00 0.00 C ATOM 1370 CD ARG A 109 -3.013 1.767 4.077 1.00 0.00 C ATOM 1371 NE ARG A 109 -1.894 2.706 3.839 1.00 0.00 N ATOM 1372 CZ ARG A 109 -0.884 2.931 4.693 1.00 0.00 C ATOM 1373 NH1 ARG A 109 -0.856 2.314 5.878 1.00 0.00 N ATOM 1374 NH2 ARG A 109 0.090 3.769 4.353 1.00 0.00 N ATOM 0 H ARG A 109 -1.462 0.028 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 109 -4.241 0.068 0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -2.575 -0.202 2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.888 1.371 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.186 2.351 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.581 0.766 3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.705 2.202 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.628 0.847 4.518 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.890 3.221 2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.604 1.670 6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -0.087 2.487 6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.067 4.237 3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 109 0.860 3.944 4.998 1.00 0.00 H new ATOM 1388 N HIS A 110 -2.790 2.934 -0.407 1.00 0.00 N ATOM 1389 CA HIS A 110 -2.953 4.327 -0.819 1.00 0.00 C ATOM 1390 C HIS A 110 -3.807 4.420 -2.088 1.00 0.00 C ATOM 1391 O HIS A 110 -4.659 5.310 -2.211 1.00 0.00 O ATOM 1392 CB HIS A 110 -1.563 4.954 -1.036 1.00 0.00 C ATOM 1393 CG HIS A 110 -1.533 6.445 -1.158 1.00 0.00 C ATOM 1394 ND1 HIS A 110 -0.415 7.161 -1.527 1.00 0.00 N ATOM 1395 CD2 HIS A 110 -2.494 7.355 -0.901 1.00 0.00 C ATOM 1396 CE1 HIS A 110 -0.724 8.459 -1.479 1.00 0.00 C ATOM 1397 NE2 HIS A 110 -1.989 8.633 -1.103 1.00 0.00 N ATOM 0 H HIS A 110 -1.815 2.636 -0.388 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.473 4.880 -0.036 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -0.920 4.663 -0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -1.129 4.526 -1.939 1.00 0.00 H new ATOM 0 HD1 HIS A 110 0.489 6.769 -1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -3.501 7.126 -0.586 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -0.039 9.260 -1.714 1.00 0.00 H new ATOM 1405 N ASN A 111 -3.590 3.499 -3.013 1.00 0.00 N ATOM 1406 CA ASN A 111 -4.388 3.424 -4.242 1.00 0.00 C ATOM 1407 C ASN A 111 -5.854 3.173 -3.891 1.00 0.00 C ATOM 1408 O ASN A 111 -6.767 3.805 -4.440 1.00 0.00 O ATOM 1409 CB ASN A 111 -3.871 2.307 -5.166 1.00 0.00 C ATOM 1410 CG ASN A 111 -4.673 2.188 -6.461 1.00 0.00 C ATOM 1411 OD1 ASN A 111 -5.206 3.175 -6.978 1.00 0.00 O ATOM 1412 ND2 ASN A 111 -4.783 0.988 -6.977 1.00 0.00 N ATOM 0 H ASN A 111 -2.865 2.785 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.298 4.373 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.825 2.498 -5.408 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.907 1.356 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.322 0.848 -7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.330 0.195 -6.524 1.00 0.00 H new ATOM 1419 N LEU A 112 -6.071 2.284 -2.941 1.00 0.00 N ATOM 1420 CA LEU A 112 -7.409 1.974 -2.487 1.00 0.00 C ATOM 1421 C LEU A 112 -8.000 3.127 -1.697 1.00 0.00 C ATOM 1422 O LEU A 112 -9.177 3.424 -1.831 1.00 0.00 O ATOM 1423 CB LEU A 112 -7.442 0.686 -1.680 1.00 0.00 C ATOM 1424 CG LEU A 112 -7.077 -0.595 -2.425 1.00 0.00 C ATOM 1425 CD1 LEU A 112 -7.361 -1.795 -1.557 1.00 0.00 C ATOM 1426 CD2 LEU A 112 -7.827 -0.701 -3.746 1.00 0.00 C ATOM 0 H LEU A 112 -5.333 1.763 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.026 1.822 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.761 0.795 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.444 0.567 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.011 -0.565 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.098 -2.705 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.770 -1.731 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.421 -1.818 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.544 -1.624 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.900 -0.705 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.574 0.151 -4.377 1.00 0.00 H new ATOM 1438 N ILE A 113 -7.164 3.790 -0.896 1.00 0.00 N ATOM 1439 CA ILE A 113 -7.571 4.980 -0.147 1.00 0.00 C ATOM 1440 C ILE A 113 -8.086 6.021 -1.120 1.00 0.00 C ATOM 1441 O ILE A 113 -9.177 6.538 -0.956 1.00 0.00 O ATOM 1442 CB ILE A 113 -6.385 5.616 0.647 1.00 0.00 C ATOM 1443 CG1 ILE A 113 -5.829 4.664 1.723 1.00 0.00 C ATOM 1444 CG2 ILE A 113 -6.801 6.944 1.272 1.00 0.00 C ATOM 1445 CD1 ILE A 113 -6.819 4.276 2.800 1.00 0.00 C ATOM 0 H ILE A 113 -6.192 3.519 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 113 -8.338 4.671 0.563 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.584 5.800 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.470 3.758 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -4.967 5.135 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.959 7.368 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -7.108 7.635 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.633 6.779 1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.338 3.605 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.161 5.171 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -7.672 3.772 2.346 1.00 0.00 H new ATOM 1457 N THR A 114 -7.313 6.260 -2.162 1.00 0.00 N ATOM 1458 CA THR A 114 -7.644 7.249 -3.161 1.00 0.00 C ATOM 1459 C THR A 114 -9.000 6.918 -3.842 1.00 0.00 C ATOM 1460 O THR A 114 -9.805 7.820 -4.112 1.00 0.00 O ATOM 1461 CB THR A 114 -6.500 7.380 -4.212 1.00 0.00 C ATOM 1462 OG1 THR A 114 -5.240 7.641 -3.536 1.00 0.00 O ATOM 1463 CG2 THR A 114 -6.771 8.518 -5.187 1.00 0.00 C ATOM 0 H THR A 114 -6.436 5.770 -2.337 1.00 0.00 H new ATOM 0 HA THR A 114 -7.750 8.213 -2.663 1.00 0.00 H new ATOM 0 HB THR A 114 -6.450 6.443 -4.767 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.887 6.804 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 114 -5.955 8.583 -5.907 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.706 8.330 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.846 9.457 -4.638 1.00 0.00 H new ATOM 1471 N GLU A 115 -9.259 5.624 -4.056 1.00 0.00 N ATOM 1472 CA GLU A 115 -10.512 5.181 -4.653 1.00 0.00 C ATOM 1473 C GLU A 115 -11.664 5.370 -3.661 1.00 0.00 C ATOM 1474 O GLU A 115 -12.675 5.982 -3.983 1.00 0.00 O ATOM 1475 CB GLU A 115 -10.422 3.700 -5.071 1.00 0.00 C ATOM 1476 CG GLU A 115 -11.665 3.190 -5.795 1.00 0.00 C ATOM 1477 CD GLU A 115 -11.599 1.725 -6.175 1.00 0.00 C ATOM 1478 OE1 GLU A 115 -10.520 1.255 -6.623 1.00 0.00 O ATOM 1479 OE2 GLU A 115 -12.634 1.036 -6.113 1.00 0.00 O ATOM 0 H GLU A 115 -8.614 4.869 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.700 5.784 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.555 3.566 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.254 3.091 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.535 3.351 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.816 3.782 -6.697 1.00 0.00 H new ATOM 1486 N MET A 116 -11.463 4.888 -2.444 1.00 0.00 N ATOM 1487 CA MET A 116 -12.489 4.902 -1.402 1.00 0.00 C ATOM 1488 C MET A 116 -12.855 6.356 -1.047 1.00 0.00 C ATOM 1489 O MET A 116 -14.020 6.691 -0.943 1.00 0.00 O ATOM 1490 CB MET A 116 -11.970 4.147 -0.164 1.00 0.00 C ATOM 1491 CG MET A 116 -13.029 3.435 0.698 1.00 0.00 C ATOM 1492 SD MET A 116 -14.368 4.485 1.285 1.00 0.00 S ATOM 1493 CE MET A 116 -15.152 3.402 2.473 1.00 0.00 C ATOM 0 H MET A 116 -10.580 4.473 -2.146 1.00 0.00 H new ATOM 0 HA MET A 116 -13.389 4.404 -1.763 1.00 0.00 H new ATOM 0 HB2 MET A 116 -11.244 3.404 -0.496 1.00 0.00 H new ATOM 0 HB3 MET A 116 -11.435 4.855 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 116 -13.457 2.617 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 116 -12.533 2.989 1.560 1.00 0.00 H new ATOM 0 HE1 MET A 116 -16.152 3.773 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 116 -15.223 2.397 2.058 1.00 0.00 H new ATOM 0 HE3 MET A 116 -14.560 3.376 3.388 1.00 0.00 H new ATOM 1503 N VAL A 117 -11.840 7.224 -0.919 1.00 0.00 N ATOM 1504 CA VAL A 117 -12.045 8.650 -0.631 1.00 0.00 C ATOM 1505 C VAL A 117 -12.845 9.326 -1.762 1.00 0.00 C ATOM 1506 O VAL A 117 -13.666 10.216 -1.517 1.00 0.00 O ATOM 1507 CB VAL A 117 -10.675 9.396 -0.399 1.00 0.00 C ATOM 1508 CG1 VAL A 117 -10.848 10.898 -0.325 1.00 0.00 C ATOM 1509 CG2 VAL A 117 -10.019 8.927 0.881 1.00 0.00 C ATOM 0 H VAL A 117 -10.860 6.958 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.622 8.720 0.291 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.046 9.156 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.878 11.369 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.277 11.261 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.513 11.147 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.076 9.455 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -10.678 9.133 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.830 7.855 0.821 1.00 0.00 H new ATOM 1519 N ALA A 118 -12.618 8.878 -2.985 1.00 0.00 N ATOM 1520 CA ALA A 118 -13.321 9.411 -4.136 1.00 0.00 C ATOM 1521 C ALA A 118 -14.773 8.962 -4.128 1.00 0.00 C ATOM 1522 O ALA A 118 -15.682 9.731 -4.473 1.00 0.00 O ATOM 1523 CB ALA A 118 -12.656 8.951 -5.409 1.00 0.00 C ATOM 0 H ALA A 118 -11.948 8.142 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 118 -13.288 10.499 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -13.192 9.357 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.624 9.301 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.671 7.862 -5.454 1.00 0.00 H new ATOM 1529 N LEU A 119 -14.984 7.730 -3.738 1.00 0.00 N ATOM 1530 CA LEU A 119 -16.307 7.150 -3.667 1.00 0.00 C ATOM 1531 C LEU A 119 -17.086 7.736 -2.501 1.00 0.00 C ATOM 1532 O LEU A 119 -18.233 8.172 -2.661 1.00 0.00 O ATOM 1533 CB LEU A 119 -16.201 5.632 -3.485 1.00 0.00 C ATOM 1534 CG LEU A 119 -15.477 4.854 -4.584 1.00 0.00 C ATOM 1535 CD1 LEU A 119 -15.269 3.421 -4.154 1.00 0.00 C ATOM 1536 CD2 LEU A 119 -16.258 4.897 -5.887 1.00 0.00 C ATOM 0 H LEU A 119 -14.238 7.094 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 119 -16.830 7.376 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -15.693 5.438 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -17.210 5.230 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.508 5.323 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -14.753 2.875 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -14.669 3.398 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -16.235 2.955 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -15.721 4.336 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -17.242 4.454 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -16.372 5.932 -6.209 1.00 0.00 H new ATOM 1548 N ASN A 120 -16.461 7.768 -1.348 1.00 0.00 N ATOM 1549 CA ASN A 120 -17.130 8.178 -0.139 1.00 0.00 C ATOM 1550 C ASN A 120 -16.393 9.350 0.535 1.00 0.00 C ATOM 1551 O ASN A 120 -15.266 9.200 1.023 1.00 0.00 O ATOM 1552 CB ASN A 120 -17.200 7.000 0.836 1.00 0.00 C ATOM 1553 CG ASN A 120 -18.187 7.212 1.965 1.00 0.00 C ATOM 1554 OD1 ASN A 120 -18.482 8.329 2.353 1.00 0.00 O ATOM 1555 ND2 ASN A 120 -18.696 6.140 2.507 1.00 0.00 N ATOM 0 H ASN A 120 -15.482 7.512 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 120 -18.135 8.506 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -17.475 6.099 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -16.210 6.827 1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -19.360 6.224 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -18.430 5.218 2.161 1.00 0.00 H new ATOM 1562 N PRO A 121 -17.039 10.527 0.592 1.00 0.00 N ATOM 1563 CA PRO A 121 -16.487 11.732 1.246 1.00 0.00 C ATOM 1564 C PRO A 121 -16.478 11.613 2.784 1.00 0.00 C ATOM 1565 O PRO A 121 -15.865 12.417 3.487 1.00 0.00 O ATOM 1566 CB PRO A 121 -17.456 12.837 0.809 1.00 0.00 C ATOM 1567 CG PRO A 121 -18.739 12.124 0.567 1.00 0.00 C ATOM 1568 CD PRO A 121 -18.367 10.796 -0.009 1.00 0.00 C ATOM 0 HA PRO A 121 -15.449 11.910 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -17.564 13.600 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -17.105 13.341 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.300 12.004 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.374 12.684 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.092 10.026 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.317 10.829 -1.097 1.00 0.00 H new ATOM 1576 N ASP A 122 -17.197 10.637 3.288 1.00 0.00 N ATOM 1577 CA ASP A 122 -17.319 10.384 4.725 1.00 0.00 C ATOM 1578 C ASP A 122 -16.228 9.428 5.199 1.00 0.00 C ATOM 1579 O ASP A 122 -16.044 9.220 6.397 1.00 0.00 O ATOM 1580 CB ASP A 122 -18.723 9.807 5.013 1.00 0.00 C ATOM 1581 CG ASP A 122 -18.937 9.349 6.435 1.00 0.00 C ATOM 1582 OD1 ASP A 122 -19.177 10.196 7.309 1.00 0.00 O ATOM 1583 OD2 ASP A 122 -18.911 8.123 6.681 1.00 0.00 O ATOM 0 H ASP A 122 -17.725 9.981 2.712 1.00 0.00 H new ATOM 0 HA ASP A 122 -17.194 11.318 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -19.469 10.565 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -18.899 8.965 4.344 1.00 0.00 H new ATOM 1588 N PHE A 123 -15.465 8.906 4.256 1.00 0.00 N ATOM 1589 CA PHE A 123 -14.444 7.926 4.560 1.00 0.00 C ATOM 1590 C PHE A 123 -13.325 8.495 5.407 1.00 0.00 C ATOM 1591 O PHE A 123 -12.659 9.475 5.031 1.00 0.00 O ATOM 1592 CB PHE A 123 -13.877 7.301 3.282 1.00 0.00 C ATOM 1593 CG PHE A 123 -12.665 6.403 3.479 1.00 0.00 C ATOM 1594 CD1 PHE A 123 -12.627 5.426 4.469 1.00 0.00 C ATOM 1595 CD2 PHE A 123 -11.580 6.530 2.645 1.00 0.00 C ATOM 1596 CE1 PHE A 123 -11.523 4.608 4.610 1.00 0.00 C ATOM 1597 CE2 PHE A 123 -10.472 5.726 2.774 1.00 0.00 C ATOM 1598 CZ PHE A 123 -10.440 4.760 3.759 1.00 0.00 C ATOM 0 H PHE A 123 -15.536 9.148 3.268 1.00 0.00 H new ATOM 0 HA PHE A 123 -14.932 7.147 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -14.664 6.720 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -13.607 8.102 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -13.469 5.306 5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -11.598 7.280 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -11.504 3.852 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -9.631 5.850 2.108 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.573 4.124 3.866 1.00 0.00 H new ATOM 1608 N LYS A 124 -13.148 7.880 6.542 1.00 0.00 N ATOM 1609 CA LYS A 124 -12.066 8.155 7.422 1.00 0.00 C ATOM 1610 C LYS A 124 -11.069 7.012 7.347 1.00 0.00 C ATOM 1611 O LYS A 124 -11.399 5.878 7.693 1.00 0.00 O ATOM 1612 CB LYS A 124 -12.517 8.414 8.877 1.00 0.00 C ATOM 1613 CG LYS A 124 -13.525 7.439 9.506 1.00 0.00 C ATOM 1614 CD LYS A 124 -14.962 7.748 9.081 1.00 0.00 C ATOM 1615 CE LYS A 124 -15.958 6.813 9.746 1.00 0.00 C ATOM 1616 NZ LYS A 124 -15.754 5.406 9.355 1.00 0.00 N ATOM 0 H LYS A 124 -13.776 7.153 6.884 1.00 0.00 H new ATOM 0 HA LYS A 124 -11.594 9.082 7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.626 8.425 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.949 9.414 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -13.272 6.419 9.216 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -13.449 7.490 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -15.204 8.779 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -15.048 7.661 7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -15.870 6.903 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -16.971 7.118 9.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -16.552 4.832 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -15.695 5.339 8.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.871 5.053 9.776 1.00 0.00 H new ATOM 1630 N PRO A 125 -9.863 7.276 6.828 1.00 0.00 N ATOM 1631 CA PRO A 125 -8.842 6.246 6.645 1.00 0.00 C ATOM 1632 C PRO A 125 -8.291 5.679 7.972 1.00 0.00 C ATOM 1633 O PRO A 125 -8.437 6.302 9.041 1.00 0.00 O ATOM 1634 CB PRO A 125 -7.724 6.971 5.876 1.00 0.00 C ATOM 1635 CG PRO A 125 -8.312 8.253 5.406 1.00 0.00 C ATOM 1636 CD PRO A 125 -9.396 8.593 6.370 1.00 0.00 C ATOM 0 HA PRO A 125 -9.254 5.380 6.126 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -6.862 7.150 6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -7.376 6.370 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.558 9.039 5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -8.708 8.152 4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -9.024 9.198 7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -10.195 9.160 5.893 1.00 0.00 H new ATOM 1644 N PRO A 126 -7.663 4.476 7.918 1.00 0.00 N ATOM 1645 CA PRO A 126 -7.043 3.841 9.086 1.00 0.00 C ATOM 1646 C PRO A 126 -5.909 4.693 9.653 1.00 0.00 C ATOM 1647 O PRO A 126 -5.266 5.473 8.915 1.00 0.00 O ATOM 1648 CB PRO A 126 -6.483 2.523 8.528 1.00 0.00 C ATOM 1649 CG PRO A 126 -6.356 2.769 7.070 1.00 0.00 C ATOM 1650 CD PRO A 126 -7.525 3.632 6.720 1.00 0.00 C ATOM 0 HA PRO A 126 -7.752 3.703 9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -5.520 2.278 8.976 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -7.152 1.687 8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -5.415 3.265 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -6.373 1.835 6.509 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.339 4.225 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -8.423 3.043 6.532 1.00 0.00 H new ATOM 1658 N ALA A 127 -5.636 4.521 10.936 1.00 0.00 N ATOM 1659 CA ALA A 127 -4.627 5.315 11.642 1.00 0.00 C ATOM 1660 C ALA A 127 -3.204 5.013 11.161 1.00 0.00 C ATOM 1661 O ALA A 127 -2.274 5.764 11.440 1.00 0.00 O ATOM 1662 CB ALA A 127 -4.745 5.110 13.145 1.00 0.00 C ATOM 0 H ALA A 127 -6.103 3.830 11.522 1.00 0.00 H new ATOM 0 HA ALA A 127 -4.822 6.362 11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -3.988 5.707 13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.736 5.420 13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -4.596 4.056 13.381 1.00 0.00 H new ATOM 1668 N ASP A 128 -3.041 3.920 10.429 1.00 0.00 N ATOM 1669 CA ASP A 128 -1.729 3.549 9.893 1.00 0.00 C ATOM 1670 C ASP A 128 -1.439 4.318 8.617 1.00 0.00 C ATOM 1671 O ASP A 128 -0.300 4.367 8.152 1.00 0.00 O ATOM 1672 CB ASP A 128 -1.643 2.048 9.573 1.00 0.00 C ATOM 1673 CG ASP A 128 -1.796 1.140 10.768 1.00 0.00 C ATOM 1674 OD1 ASP A 128 -0.801 0.878 11.469 1.00 0.00 O ATOM 1675 OD2 ASP A 128 -2.913 0.658 11.013 1.00 0.00 O ATOM 0 H ASP A 128 -3.794 3.274 10.191 1.00 0.00 H new ATOM 0 HA ASP A 128 -0.998 3.793 10.663 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -2.415 1.801 8.844 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.682 1.845 9.100 1.00 0.00 H new ATOM 1680 N TYR A 129 -2.461 4.913 8.042 1.00 0.00 N ATOM 1681 CA TYR A 129 -2.289 5.657 6.824 1.00 0.00 C ATOM 1682 C TYR A 129 -1.987 7.097 7.111 1.00 0.00 C ATOM 1683 O TYR A 129 -2.721 7.772 7.851 1.00 0.00 O ATOM 1684 CB TYR A 129 -3.493 5.523 5.881 1.00 0.00 C ATOM 1685 CG TYR A 129 -3.477 6.498 4.698 1.00 0.00 C ATOM 1686 CD1 TYR A 129 -2.387 6.586 3.826 1.00 0.00 C ATOM 1687 CD2 TYR A 129 -4.559 7.324 4.460 1.00 0.00 C ATOM 1688 CE1 TYR A 129 -2.394 7.477 2.765 1.00 0.00 C ATOM 1689 CE2 TYR A 129 -4.574 8.208 3.409 1.00 0.00 C ATOM 1690 CZ TYR A 129 -3.493 8.284 2.565 1.00 0.00 C ATOM 1691 OH TYR A 129 -3.510 9.180 1.523 1.00 0.00 O ATOM 0 H TYR A 129 -3.416 4.894 8.401 1.00 0.00 H new ATOM 0 HA TYR A 129 -1.433 5.223 6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -3.527 4.504 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.407 5.679 6.453 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -1.528 5.950 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.415 7.273 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -1.545 7.539 2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -5.433 8.842 3.247 1.00 0.00 H new ATOM 0 HH TYR A 129 -4.359 9.669 1.526 1.00 0.00 H new ATOM 1701 N LYS A 130 -0.907 7.552 6.541 1.00 0.00 N ATOM 1702 CA LYS A 130 -0.498 8.908 6.659 1.00 0.00 C ATOM 1703 C LYS A 130 -0.752 9.585 5.323 1.00 0.00 C ATOM 1704 O LYS A 130 -0.103 9.243 4.329 1.00 0.00 O ATOM 1705 CB LYS A 130 0.986 8.973 6.965 1.00 0.00 C ATOM 1706 CG LYS A 130 1.436 8.112 8.146 1.00 0.00 C ATOM 1707 CD LYS A 130 0.742 8.509 9.440 1.00 0.00 C ATOM 1708 CE LYS A 130 1.138 7.589 10.589 1.00 0.00 C ATOM 1709 NZ LYS A 130 2.594 7.602 10.864 1.00 0.00 N ATOM 0 H LYS A 130 -0.283 6.977 5.975 1.00 0.00 H new ATOM 0 HA LYS A 130 -1.050 9.399 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 130 1.539 8.665 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 130 1.256 10.010 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 130 1.228 7.064 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 130 2.515 8.204 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 130 0.998 9.538 9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -0.338 8.475 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 130 0.601 7.889 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 130 0.827 6.571 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 2.786 7.082 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 3.100 7.148 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 2.920 8.585 10.964 1.00 0.00 H new ATOM 1723 N PRO A 131 -1.717 10.498 5.251 1.00 0.00 N ATOM 1724 CA PRO A 131 -2.025 11.206 4.011 1.00 0.00 C ATOM 1725 C PRO A 131 -0.858 12.091 3.566 1.00 0.00 C ATOM 1726 O PRO A 131 -0.121 12.646 4.400 1.00 0.00 O ATOM 1727 CB PRO A 131 -3.250 12.056 4.369 1.00 0.00 C ATOM 1728 CG PRO A 131 -3.173 12.201 5.843 1.00 0.00 C ATOM 1729 CD PRO A 131 -2.596 10.923 6.353 1.00 0.00 C ATOM 0 HA PRO A 131 -2.208 10.526 3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -3.222 13.025 3.871 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -4.176 11.568 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -2.547 13.049 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -4.160 12.381 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -2.040 11.071 7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -3.370 10.184 6.561 1.00 0.00 H new ATOM 1737 N PRO A 132 -0.651 12.203 2.266 1.00 0.00 N ATOM 1738 CA PRO A 132 0.423 13.000 1.713 1.00 0.00 C ATOM 1739 C PRO A 132 0.136 14.501 1.813 1.00 0.00 C ATOM 1740 O PRO A 132 -1.020 14.929 1.906 1.00 0.00 O ATOM 1741 CB PRO A 132 0.460 12.566 0.247 1.00 0.00 C ATOM 1742 CG PRO A 132 -0.934 12.147 -0.046 1.00 0.00 C ATOM 1743 CD PRO A 132 -1.453 11.548 1.216 1.00 0.00 C ATOM 0 HA PRO A 132 1.363 12.849 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 132 0.775 13.383 -0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 132 1.163 11.747 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.542 12.998 -0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -0.962 11.425 -0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.518 11.743 1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.324 10.466 1.229 1.00 0.00 H new ATOM 1751 N ALA A 133 1.181 15.283 1.847 1.00 0.00 N ATOM 1752 CA ALA A 133 1.049 16.721 1.843 1.00 0.00 C ATOM 1753 C ALA A 133 1.151 17.221 0.419 1.00 0.00 C ATOM 1754 O ALA A 133 0.661 18.293 0.077 1.00 0.00 O ATOM 1755 CB ALA A 133 2.123 17.354 2.717 1.00 0.00 C ATOM 0 H ALA A 133 2.144 14.947 1.878 1.00 0.00 H new ATOM 0 HA ALA A 133 0.078 17.001 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 133 2.010 18.438 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 133 2.021 16.991 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 133 3.108 17.087 2.334 1.00 0.00 H new ATOM 1761 N THR A 134 1.777 16.419 -0.405 1.00 0.00 N ATOM 1762 CA THR A 134 1.982 16.724 -1.783 1.00 0.00 C ATOM 1763 C THR A 134 0.733 16.401 -2.599 1.00 0.00 C ATOM 1764 O THR A 134 0.198 17.256 -3.312 1.00 0.00 O ATOM 1765 CB THR A 134 3.184 15.926 -2.271 1.00 0.00 C ATOM 1766 OG1 THR A 134 3.029 14.558 -1.823 1.00 0.00 O ATOM 1767 CG2 THR A 134 4.461 16.503 -1.682 1.00 0.00 C ATOM 0 H THR A 134 2.163 15.518 -0.122 1.00 0.00 H new ATOM 0 HA THR A 134 2.176 17.789 -1.908 1.00 0.00 H new ATOM 0 HB THR A 134 3.244 15.970 -3.358 1.00 0.00 H new ATOM 0 HG1 THR A 134 3.793 14.025 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 134 5.317 15.928 -2.035 1.00 0.00 H new ATOM 0 HG22 THR A 134 4.569 17.542 -1.994 1.00 0.00 H new ATOM 0 HG23 THR A 134 4.415 16.454 -0.594 1.00 0.00 H new ATOM 1775 N ARG A 135 0.264 15.179 -2.470 1.00 0.00 N ATOM 1776 CA ARG A 135 -0.935 14.762 -3.130 1.00 0.00 C ATOM 1777 C ARG A 135 -2.175 15.303 -2.463 1.00 0.00 C ATOM 1778 O ARG A 135 -2.105 15.933 -1.391 1.00 0.00 O ATOM 1779 CB ARG A 135 -1.011 13.249 -3.352 1.00 0.00 C ATOM 1780 CG ARG A 135 -0.171 12.744 -4.517 1.00 0.00 C ATOM 1781 CD ARG A 135 -0.545 13.473 -5.809 1.00 0.00 C ATOM 1782 NE ARG A 135 -2.003 13.484 -6.029 1.00 0.00 N ATOM 1783 CZ ARG A 135 -2.726 14.546 -6.441 1.00 0.00 C ATOM 1784 NH1 ARG A 135 -2.137 15.725 -6.669 1.00 0.00 N ATOM 1785 NH2 ARG A 135 -4.037 14.430 -6.585 1.00 0.00 N ATOM 0 H ARG A 135 0.708 14.455 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 135 -0.891 15.205 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -0.690 12.743 -2.441 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -2.051 12.970 -3.521 1.00 0.00 H new ATOM 0 HG2 ARG A 135 0.887 12.895 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.321 11.672 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -0.176 14.498 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -0.054 12.991 -6.654 1.00 0.00 H new ATOM 0 HE ARG A 135 -2.508 12.615 -5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -1.132 15.828 -6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -2.693 16.521 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -4.495 13.541 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -4.589 15.230 -6.896 1.00 0.00 H new ATOM 1799 N VAL A 136 -3.303 15.032 -3.096 1.00 0.00 N ATOM 1800 CA VAL A 136 -4.603 15.603 -2.773 1.00 0.00 C ATOM 1801 C VAL A 136 -4.603 17.058 -3.203 1.00 0.00 C ATOM 1802 O VAL A 136 -5.235 17.412 -4.209 1.00 0.00 O ATOM 1803 CB VAL A 136 -5.031 15.439 -1.275 1.00 0.00 C ATOM 1804 CG1 VAL A 136 -6.403 16.065 -1.029 1.00 0.00 C ATOM 1805 CG2 VAL A 136 -5.051 13.964 -0.879 1.00 0.00 C ATOM 0 H VAL A 136 -3.342 14.382 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 136 -5.358 15.040 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 136 -4.297 15.958 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.678 15.938 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -6.366 17.128 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.145 15.576 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.351 13.872 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -5.761 13.428 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -4.056 13.539 -1.010 1.00 0.00 H new ATOM 1815 N SER A 137 -3.841 17.846 -2.461 1.00 0.00 N ATOM 1816 CA SER A 137 -3.585 19.267 -2.681 1.00 0.00 C ATOM 1817 C SER A 137 -4.746 20.037 -3.304 1.00 0.00 C ATOM 1818 O SER A 137 -4.715 20.434 -4.481 1.00 0.00 O ATOM 1819 CB SER A 137 -2.233 19.493 -3.379 1.00 0.00 C ATOM 1820 OG SER A 137 -1.996 18.521 -4.401 1.00 0.00 O ATOM 0 H SER A 137 -3.353 17.492 -1.638 1.00 0.00 H new ATOM 0 HA SER A 137 -3.505 19.715 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.211 20.492 -3.815 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.431 19.449 -2.642 1.00 0.00 H new ATOM 0 HG SER A 137 -1.221 17.973 -4.158 1.00 0.00 H new ATOM 1826 N ASP A 138 -5.784 20.197 -2.518 1.00 0.00 N ATOM 1827 CA ASP A 138 -6.994 20.865 -2.955 1.00 0.00 C ATOM 1828 C ASP A 138 -6.823 22.363 -2.846 1.00 0.00 C ATOM 1829 O ASP A 138 -7.493 23.126 -3.537 1.00 0.00 O ATOM 1830 CB ASP A 138 -8.212 20.410 -2.123 1.00 0.00 C ATOM 1831 CG ASP A 138 -8.147 20.843 -0.671 1.00 0.00 C ATOM 1832 OD1 ASP A 138 -7.384 20.245 0.116 1.00 0.00 O ATOM 1833 OD2 ASP A 138 -8.854 21.801 -0.286 1.00 0.00 O ATOM 0 H ASP A 138 -5.817 19.868 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 138 -7.175 20.597 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -9.120 20.811 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -8.287 19.323 -2.167 1.00 0.00 H new ATOM 1838 N LYS A 139 -5.909 22.780 -1.996 1.00 0.00 N ATOM 1839 CA LYS A 139 -5.651 24.184 -1.797 1.00 0.00 C ATOM 1840 C LYS A 139 -4.843 24.723 -2.965 1.00 0.00 C ATOM 1841 O LYS A 139 -3.754 24.228 -3.262 1.00 0.00 O ATOM 1842 CB LYS A 139 -4.924 24.425 -0.465 1.00 0.00 C ATOM 1843 CG LYS A 139 -5.653 23.903 0.759 1.00 0.00 C ATOM 1844 CD LYS A 139 -7.002 24.542 0.886 1.00 0.00 C ATOM 1845 CE LYS A 139 -7.767 24.073 2.123 1.00 0.00 C ATOM 1846 NZ LYS A 139 -8.013 22.608 2.127 1.00 0.00 N ATOM 0 H LYS A 139 -5.330 22.159 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 139 -6.601 24.716 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -3.941 23.956 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -4.761 25.496 -0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -5.763 22.821 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -5.064 24.106 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -6.883 25.625 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -7.589 24.319 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.205 24.345 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -8.721 24.597 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.607 22.358 2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.499 22.335 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -7.106 22.104 2.192 1.00 0.00 H new ATOM 1860 N VAL A 140 -5.396 25.693 -3.649 1.00 0.00 N ATOM 1861 CA VAL A 140 -4.745 26.275 -4.803 1.00 0.00 C ATOM 1862 C VAL A 140 -4.321 27.707 -4.512 1.00 0.00 C ATOM 1863 O VAL A 140 -5.059 28.466 -3.863 1.00 0.00 O ATOM 1864 CB VAL A 140 -5.644 26.222 -6.084 1.00 0.00 C ATOM 1865 CG1 VAL A 140 -5.945 24.783 -6.465 1.00 0.00 C ATOM 1866 CG2 VAL A 140 -6.952 26.993 -5.895 1.00 0.00 C ATOM 0 H VAL A 140 -6.304 26.101 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.858 25.674 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 140 -5.086 26.700 -6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -6.571 24.766 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.012 24.257 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.469 24.292 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -7.546 26.931 -6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -7.513 26.560 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -6.730 28.038 -5.677 1.00 0.00 H new ATOM 1876 N MET A 141 -3.137 28.065 -4.940 1.00 0.00 N ATOM 1877 CA MET A 141 -2.648 29.413 -4.743 1.00 0.00 C ATOM 1878 C MET A 141 -3.045 30.269 -5.932 1.00 0.00 C ATOM 1879 O MET A 141 -2.879 29.859 -7.099 1.00 0.00 O ATOM 1880 CB MET A 141 -1.114 29.447 -4.523 1.00 0.00 C ATOM 1881 CG MET A 141 -0.278 28.964 -5.706 1.00 0.00 C ATOM 1882 SD MET A 141 1.492 29.009 -5.384 1.00 0.00 S ATOM 1883 CE MET A 141 2.126 28.384 -6.945 1.00 0.00 C ATOM 0 H MET A 141 -2.491 27.444 -5.428 1.00 0.00 H new ATOM 0 HA MET A 141 -3.102 29.815 -3.838 1.00 0.00 H new ATOM 0 HB2 MET A 141 -0.820 30.469 -4.284 1.00 0.00 H new ATOM 0 HB3 MET A 141 -0.874 28.834 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 141 -0.570 27.944 -5.957 1.00 0.00 H new ATOM 0 HG3 MET A 141 -0.499 29.582 -6.576 1.00 0.00 H new ATOM 0 HE1 MET A 141 3.215 28.350 -6.908 1.00 0.00 H new ATOM 0 HE2 MET A 141 1.737 27.381 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 141 1.811 29.042 -7.755 1.00 0.00 H new ATOM 1893 N ILE A 142 -3.611 31.410 -5.661 1.00 0.00 N ATOM 1894 CA ILE A 142 -4.010 32.307 -6.705 1.00 0.00 C ATOM 1895 C ILE A 142 -3.375 33.669 -6.459 1.00 0.00 C ATOM 1896 O ILE A 142 -3.757 34.388 -5.528 1.00 0.00 O ATOM 1897 CB ILE A 142 -5.565 32.468 -6.745 1.00 0.00 C ATOM 1898 CG1 ILE A 142 -6.246 31.096 -6.919 1.00 0.00 C ATOM 1899 CG2 ILE A 142 -5.984 33.420 -7.873 1.00 0.00 C ATOM 1900 CD1 ILE A 142 -7.752 31.134 -6.858 1.00 0.00 C ATOM 0 H ILE A 142 -3.807 31.742 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 142 -3.680 31.897 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 142 -5.887 32.898 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 142 -5.944 30.674 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 142 -5.880 30.422 -6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -7.070 33.517 -7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -5.533 34.399 -7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -5.647 33.021 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 142 -8.147 30.127 -6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 142 -8.067 31.524 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 142 -8.132 31.779 -7.650 1.00 0.00 H new ATOM 1912 N PRO A 143 -2.387 34.040 -7.266 1.00 0.00 N ATOM 1913 CA PRO A 143 -1.792 35.355 -7.201 1.00 0.00 C ATOM 1914 C PRO A 143 -2.664 36.321 -7.977 1.00 0.00 C ATOM 1915 O PRO A 143 -3.402 35.910 -8.886 1.00 0.00 O ATOM 1916 CB PRO A 143 -0.431 35.185 -7.903 1.00 0.00 C ATOM 1917 CG PRO A 143 -0.331 33.731 -8.249 1.00 0.00 C ATOM 1918 CD PRO A 143 -1.730 33.207 -8.276 1.00 0.00 C ATOM 0 HA PRO A 143 -1.688 35.739 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -0.372 35.805 -8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 143 0.387 35.489 -7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.154 33.594 -9.216 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.270 33.197 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -2.189 33.319 -9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -1.774 32.148 -8.023 1.00 0.00 H new ATOM 1926 N GLN A 144 -2.633 37.567 -7.632 1.00 0.00 N ATOM 1927 CA GLN A 144 -3.434 38.517 -8.338 1.00 0.00 C ATOM 1928 C GLN A 144 -2.625 39.100 -9.477 1.00 0.00 C ATOM 1929 O GLN A 144 -1.656 39.827 -9.264 1.00 0.00 O ATOM 1930 CB GLN A 144 -3.943 39.614 -7.403 1.00 0.00 C ATOM 1931 CG GLN A 144 -4.734 39.098 -6.197 1.00 0.00 C ATOM 1932 CD GLN A 144 -5.918 38.220 -6.578 1.00 0.00 C ATOM 1933 OE1 GLN A 144 -7.019 38.708 -6.810 1.00 0.00 O ATOM 1934 NE2 GLN A 144 -5.722 36.923 -6.593 1.00 0.00 N ATOM 0 H GLN A 144 -2.068 37.950 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 144 -4.311 38.013 -8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -3.092 40.193 -7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -4.575 40.296 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -4.065 38.531 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -5.094 39.948 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -4.795 36.545 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -6.496 36.293 -6.801 1.00 0.00 H new ATOM 1943 N ASP A 145 -3.014 38.759 -10.666 1.00 0.00 N ATOM 1944 CA ASP A 145 -2.360 39.217 -11.877 1.00 0.00 C ATOM 1945 C ASP A 145 -3.013 40.484 -12.337 1.00 0.00 C ATOM 1946 O ASP A 145 -2.345 41.539 -12.380 1.00 0.00 O ATOM 1947 CB ASP A 145 -2.432 38.149 -12.974 1.00 0.00 C ATOM 1948 CG ASP A 145 -1.870 38.623 -14.295 1.00 0.00 C ATOM 1949 OD1 ASP A 145 -0.653 38.890 -14.377 1.00 0.00 O ATOM 1950 OD2 ASP A 145 -2.619 38.682 -15.289 1.00 0.00 O ATOM 1951 OXT ASP A 145 -4.235 40.460 -12.545 1.00 0.00 O ATOM 0 H ASP A 145 -3.809 38.143 -10.838 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.307 39.405 -11.665 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -1.885 37.264 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.470 37.848 -13.114 1.00 0.00 H new TER 1956 ASP A 145